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

C29H39N3O6 — CID 3180244

IUPACN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H39N3O6/c1-35-24-11-8-21(9-12-24)27(28(33)30-23-6-4-5-7-23)32(15-14-31-16-18-38-19-17-31)29(34)22-10-13-25(36-2)26(20-22)37-3/h8-13,20,23,27H,4-7,14-19H2,1-3H3,(H,30,33)
InChIKeyWHLXLDNFTKYUJY-UHFFFAOYSA-N
MW525.65 g/mol
LogP3.29
Rot. Bonds11

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

N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 3180244) has the molecular formula C29H39N3O6 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID3180244
Molecular FormulaC29H39N3O6
Molecular Weight525.65 g/mol
Exact Mass525.28
IUPAC NameN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H39N3O6/c1-35-24-11-8-21(9-12-24)27(28(33)30-23-6-4-5-7-23)32(15-14-31-16-18-38-19-17-31)29(34)22-10-13-25(36-2)26(20-22)37-3/h8-13,20,23,27H,4-7,14-19H2,1-3H3,(H,30,33)
InChIKeyWHLXLDNFTKYUJY-UHFFFAOYSA-N
XLogP3.29
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3180235
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3188384
N-[2-amino-1-cyclopentyl-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 21156805
(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088210
N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 649047
N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 25447501
N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 25447123
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184757
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide
CID 1142603
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065621
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 3180244) is N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is WHLXLDNFTKYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O6/c1-35-24-11-8-21(9-12-24)27(28(33)30-23-6-4-5-7-23)32(15-14-31-16-18-38-19-17-31)29(34)22-10-13-25(36-2)26(20-22)37-3/h8-13,20,23,27H,4-7,14-19H2,1-3H3,(H,30,33).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-(cyclopentylamino)-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 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 3180244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).