N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide

C27H30N2O3 — CID 3196980

IUPACN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-13-15-22(16-14-20)25(26(30)28-23-10-5-6-11-23)29(27(31)24-12-7-19-32-24)18-17-21-8-3-2-4-9-21/h2-4,7-9,12-16,19,23,25H,5-6,10-11,17-18H2,1H3,(H,28,30)
InChIKeyDZRYEZPHRSAGCX-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.07
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 3196980) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID3196980
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-13-15-22(16-14-20)25(26(30)28-23-10-5-6-11-23)29(27(31)24-12-7-19-32-24)18-17-21-8-3-2-4-9-21/h2-4,7-9,12-16,19,23,25H,5-6,10-11,17-18H2,1H3,(H,28,30)
InChIKeyDZRYEZPHRSAGCX-UHFFFAOYSA-N
XLogP5.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196978
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 3196979
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196958
N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 25311662
N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 3196367
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 5096296
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 25311577

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 3196980) is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is DZRYEZPHRSAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-20-13-15-22(16-14-20)25(26(30)28-23-10-5-6-11-23)29(27(31)24-12-7-19-32-24)18-17-21-8-3-2-4-9-21/h2-4,7-9,12-16,19,23,25H,5-6,10-11,17-18H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 3196980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).