N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide

C32H33ClN4O7 — CID 164700320

IUPACN-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3OC)C(=O)N[C@H]2C1
InChIInChI=1S/C32H33ClN4O7/c1-3-29(38)35-24-15-21(33)7-10-23(24)32(41)37-13-12-26-25(17-37)36-31(40)20-6-11-27(42-2)28(14-20)43-18-30(39)34-16-19-4-8-22(44-26)9-5-19/h4-11,14-15,25-26H,3,12-13,16-18H2,1-2H3,(H,34,39)(H,35,38)(H,36,40)/t25-,26+/m0/s1
InChIKeyVGJHFEZMDFTTRZ-IZZNHLLZSA-N
MW621.09 g/mol
LogP3.80
Rot. Bonds4

About N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide

N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide (PubChem CID 164700320) has the molecular formula C32H33ClN4O7 and a molecular weight of 621.09 g/mol. Its IUPAC name is N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide
PubChem CID164700320
Molecular FormulaC32H33ClN4O7
Molecular Weight621.09 g/mol
Exact Mass620.20
IUPAC NameN-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3OC)C(=O)N[C@H]2C1
InChIInChI=1S/C32H33ClN4O7/c1-3-29(38)35-24-15-21(33)7-10-23(24)32(41)37-13-12-26-25(17-37)36-31(40)20-6-11-27(42-2)28(14-20)43-18-30(39)34-16-19-4-8-22(44-26)9-5-19/h4-11,14-15,25-26H,3,12-13,16-18H2,1-2H3,(H,34,39)(H,35,38)(H,36,40)/t25-,26+/m0/s1
InChIKeyVGJHFEZMDFTTRZ-IZZNHLLZSA-N
XLogP3.80
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.09
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,7S)-13-methoxy-5-propanoyl-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 135095477
(3R,8S)-14-methoxy-6-(4-propylthiadiazole-5-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 164696857
(3R,8S)-14-methoxy-6-(3-phenylbenzoyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 164694359
4-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]benzenesulfonamide
CID 164699605
(3S,7S)-5-(cyclopropanecarbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 135120296
(3S,7S)-5-(1-ethyl-2-oxopyridine-4-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 135113660
(3S,7S)-5-(2-ethoxypyridine-3-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 163308799
(3R,8S)-6-(5-chloropyridine-2-carbonyl)-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 163314475
(3S,7S)-5-[2-(benzotriazol-2-yl)acetyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 164698539
(3R,8S)-14-methoxy-6-(5-pyridin-3-ylpentanoyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 164689262
(3R,8S)-6-acetyl-23-fluoro-14-methoxy-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-10,18-dione
CID 164693867
(3S,7S)-5-(4-hydroxy-1-methylpiperidine-4-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione
CID 135095133

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide (CID 164700320) is N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3OC)C(=O)N[C@H]2C1.
What is the InChIKey of N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide?
The InChIKey is VGJHFEZMDFTTRZ-IZZNHLLZSA-N. The full InChI is InChI=1S/C32H33ClN4O7/c1-3-29(38)35-24-15-21(33)7-10-23(24)32(41)37-13-12-26-25(17-37)36-31(40)20-6-11-27(42-2)28(14-20)43-18-30(39)34-16-19-4-8-22(44-26)9-5-19/h4-11,14-15,25-26H,3,12-13,16-18H2,1-2H3,(H,34,39)(H,35,38)(H,36,40)/t25-,26+/m0/s1.
What are the key properties of N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide?
N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide has a molecular weight of 621.09 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3R,8S)-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaene-6-carbonyl]phenyl]propanamide is sourced from PubChem (CID 164700320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).