N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide

C29H33N3O5 — CID 3196438

IUPACN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C29H33N3O5/c1-35-25-10-5-4-9-24(25)32(29(34)26-11-6-18-37-26)27(28(33)30-22-7-2-3-8-22)21-12-14-23(15-13-21)31-16-19-36-20-17-31/h4-6,9-15,18,22,27H,2-3,7-8,16-17,19-20H2,1H3,(H,30,33)
InChIKeyAFSOMTSHIKTJBK-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.57
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 3196438) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID3196438
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC NameN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C29H33N3O5/c1-35-25-10-5-4-9-24(25)32(29(34)26-11-6-18-37-26)27(28(33)30-22-7-2-3-8-22)21-12-14-23(15-13-21)31-16-19-36-20-17-31/h4-6,9-15,18,22,27H,2-3,7-8,16-17,19-20H2,1H3,(H,30,33)
InChIKeyAFSOMTSHIKTJBK-UHFFFAOYSA-N
XLogP4.57
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 23765666
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 647109
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196416
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 1441734
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3196910
N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 40784408
N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1441738
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311136
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide (CID 3196438) is N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is AFSOMTSHIKTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-35-25-10-5-4-9-24(25)32(29(34)26-11-6-18-37-26)27(28(33)30-22-7-2-3-8-22)21-12-14-23(15-13-21)31-16-19-36-20-17-31/h4-6,9-15,18,22,27H,2-3,7-8,16-17,19-20H2,1H3,(H,30,33).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).