(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide

C22H29ClN4O3 — CID 59494305

IUPAC(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCC(=O)NCCn1cc(C)c2c(Cl)cc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H29ClN4O3/c1-14-12-26(7-5-25-15(2)28)19-10-16(9-18(23)21(14)19)13-27(17-3-4-17)22(29)20-11-24-6-8-30-20/h9-10,12,17,20,24H,3-8,11,13H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyATRODZOKICGGSG-HXUWFJFHSA-N
MW432.95 g/mol
LogP2.22
Rot. Bonds7

About (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 59494305) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID59494305
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCC(=O)NCCn1cc(C)c2c(Cl)cc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H29ClN4O3/c1-14-12-26(7-5-25-15(2)28)19-10-16(9-18(23)21(14)19)13-27(17-3-4-17)22(29)20-11-24-6-8-30-20/h9-10,12,17,20,24H,3-8,11,13H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyATRODZOKICGGSG-HXUWFJFHSA-N
XLogP2.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide with MolForge

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Related Compounds

N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
N-cyclopropyl-N-[1-[1-(3-methoxypropyl)-3,4-dimethylpyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118910663
methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate
CID 89026730
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128
(4S)-N-[[1-(2-acetamidoethyl)indol-3-yl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 70953089
N-[[(6S,7R)-7-(3-chloro-4-methylphenyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 122181879
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835
N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 70905472
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
N-[[7-(4-chloro-3-methylphenyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 67114469
N-cyclopropyl-N-[[1-(2-methoxyphenyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494035

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide (CID 59494305) is (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide is CC(=O)NCCn1cc(C)c2c(Cl)cc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is ATRODZOKICGGSG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-14-12-26(7-5-25-15(2)28)19-10-16(9-18(23)21(14)19)13-27(17-3-4-17)22(29)20-11-24-6-8-30-20/h9-10,12,17,20,24H,3-8,11,13H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 59494305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).