N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide

C21H21NO6 — CID 162955106

IUPACN-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide
SMILESCOC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC(C)=O)CCc1cc2c(c(OC)c13)OCO2
InChIInChI=1S/C21H21NO6/c1-9(23)22-12-5-4-10-6-14-20(28-8-27-14)21(26-3)15(10)16-11-7-13(25-2)19(24)17(11)18(12)16/h6-7,11-12,17H,4-5,8H2,1-3H3,(H,22,23)/t11-,12+,17-/m1/s1
InChIKeyPRPBEOCVIJZVHM-BWACUDIHSA-N
MW383.40 g/mol
LogP1.99
Rot. Bonds3

About N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide

N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide (PubChem CID 162955106) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide
PubChem CID162955106
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide
SMILESCOC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC(C)=O)CCc1cc2c(c(OC)c13)OCO2
InChIInChI=1S/C21H21NO6/c1-9(23)22-12-5-4-10-6-14-20(28-8-27-14)21(26-3)15(10)16-11-7-13(25-2)19(24)17(11)18(12)16/h6-7,11-12,17H,4-5,8H2,1-3H3,(H,22,23)/t11-,12+,17-/m1/s1
InChIKeyPRPBEOCVIJZVHM-BWACUDIHSA-N
XLogP1.99
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide 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

N-[(10S)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6-tetraenyl]acetamide
CID 10046607
dimethyl (12S,13S)-3,22-dimethoxy-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene-12,13-dicarboxylate
CID 134831926
N-[10-(1,3-benzodioxol-5-ylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 4966194
N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899539
N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
CID 166490529
[(5S)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]urea
CID 906832
(2R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1,3-benzodioxol-5-yl)-4-methylsulfanylbutanamide
CID 124862114
[(9S,10R)-9-(hydroxymethyl)-3,4,5,19-tetramethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-yl]methanol
CID 10972085
N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide
CID 177278517
N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899530
4-methoxy-5-(3,4,5-trimethoxyphenyl)-8a,9-dihydro-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
CID 14283385
N-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)prop-2-enamide
CID 3697493

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide?
The IUPAC name of N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide (CID 162955106) is N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide.
What is the SMILES notation for N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide?
The canonical SMILES for N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide is COC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC(C)=O)CCc1cc2c(c(OC)c13)OCO2.
What is the InChIKey of N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide?
The InChIKey is PRPBEOCVIJZVHM-BWACUDIHSA-N. The full InChI is InChI=1S/C21H21NO6/c1-9(23)22-12-5-4-10-6-14-20(28-8-27-14)21(26-3)15(10)16-11-7-13(25-2)19(24)17(11)18(12)16/h6-7,11-12,17H,4-5,8H2,1-3H3,(H,22,23)/t11-,12+,17-/m1/s1.
What are the key properties of N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide?
N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide has a molecular weight of 383.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide is sourced from PubChem (CID 162955106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).