N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide

C27H29ClN2O5 — CID 25447123

IUPACN-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C27H29ClN2O5/c1-33-23-14-11-19(16-24(23)34-2)27(32)30(17-22-8-5-15-35-22)25(18-9-12-20(28)13-10-18)26(31)29-21-6-3-4-7-21/h5,8-16,21,25H,3-4,6-7,17H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyNMXQCBGBHWQKRU-RUZDIDTESA-N
MW496.99 g/mol
LogP5.39
Rot. Bonds9

About N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide

N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 25447123) has the molecular formula C27H29ClN2O5 and a molecular weight of 496.99 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID25447123
Molecular FormulaC27H29ClN2O5
Molecular Weight496.99 g/mol
Exact Mass496.18
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C27H29ClN2O5/c1-33-23-14-11-19(16-24(23)34-2)27(32)30(17-22-8-5-15-35-22)25(18-9-12-20(28)13-10-18)26(31)29-21-6-3-4-7-21/h5,8-16,21,25H,3-4,6-7,17H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyNMXQCBGBHWQKRU-RUZDIDTESA-N
XLogP5.39
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.99
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 649047
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cycloheptyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86810222
N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 25447501
N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 3179033
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 25445999
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 3191378
N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 25448951
N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211555
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3174791
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide (CID 25447123) is N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is NMXQCBGBHWQKRU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29ClN2O5/c1-33-23-14-11-19(16-24(23)34-2)27(32)30(17-22-8-5-15-35-22)25(18-9-12-20(28)13-10-18)26(31)29-21-6-3-4-7-21/h5,8-16,21,25H,3-4,6-7,17H2,1-2H3,(H,29,31)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 496.99 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 25447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).