N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide

C29H39N3O6 — CID 21156805

IUPACN-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(C(N)=O)(C2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H39N3O6/c1-35-24-11-9-23(10-12-24)29(28(30)34,22-6-4-5-7-22)32(15-14-31-16-18-38-19-17-31)27(33)21-8-13-25(36-2)26(20-21)37-3/h8-13,20,22H,4-7,14-19H2,1-3H3,(H2,30,34)
InChIKeySCTCQCFMFRPLNC-UHFFFAOYSA-N
MW525.65 g/mol
LogP3.06
Rot. Bonds11

About N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide

N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 21156805) has the molecular formula C29H39N3O6 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID21156805
Molecular FormulaC29H39N3O6
Molecular Weight525.65 g/mol
Exact Mass525.28
IUPAC NameN-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(C(N)=O)(C2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H39N3O6/c1-35-24-11-9-23(10-12-24)29(28(30)34,22-6-4-5-7-22)32(15-14-31-16-18-38-19-17-31)27(33)21-8-13-25(36-2)26(20-21)37-3/h8-13,20,22H,4-7,14-19H2,1-3H3,(H2,30,34)
InChIKeySCTCQCFMFRPLNC-UHFFFAOYSA-N
XLogP3.06
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 3180244
N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 21156803
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1138644
3,4-diethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 43997472

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 21156805) is N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(C(N)=O)(C2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SCTCQCFMFRPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O6/c1-35-24-11-9-23(10-12-24)29(28(30)34,22-6-4-5-7-22)32(15-14-31-16-18-38-19-17-31)27(33)21-8-13-25(36-2)26(20-21)37-3/h8-13,20,22H,4-7,14-19H2,1-3H3,(H2,30,34).
What are the key properties of N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 525.65 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 21156805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).