N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide

C30H35N3O4 — CID 23765666

IUPACN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H35N3O4/c1-21-7-5-8-22(2)27(21)33(30(35)26-11-6-18-37-26)28(29(34)31-24-9-3-4-10-24)23-12-14-25(15-13-23)32-16-19-36-20-17-32/h5-8,11-15,18,24,28H,3-4,9-10,16-17,19-20H2,1-2H3,(H,31,34)
InChIKeyKVPKXMHWDYODEM-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.18
Rot. Bonds7

About N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide (PubChem CID 23765666) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
PubChem CID23765666
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H35N3O4/c1-21-7-5-8-22(2)27(21)33(30(35)26-11-6-18-37-26)28(29(34)31-24-9-3-4-10-24)23-12-14-25(15-13-23)32-16-19-36-20-17-32/h5-8,11-15,18,24,28H,3-4,9-10,16-17,19-20H2,1-2H3,(H,31,34)
InChIKeyKVPKXMHWDYODEM-UHFFFAOYSA-N
XLogP5.18
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196416
N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 3196438
N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 40784408
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 1469023
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 1441734
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3196519
N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311136
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469105

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide (CID 23765666) is N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide is Cc1cccc(C)c1N(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-(2,6-dimethylphenyl)furan-2-carboxamide?
The InChIKey is KVPKXMHWDYODEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-21-7-5-8-22(2)27(21)33(30(35)26-11-6-18-37-26)28(29(34)31-24-9-3-4-10-24)23-12-14-25(15-13-23)32-16-19-36-20-17-32/h5-8,11-15,18,24,28H,3-4,9-10,16-17,19-20H2,1-2H3,(H,31,34).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 23765666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).