N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C28H31N3O5 — CID 3211516

IUPACN-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C28H31N3O5/c1-35-23-14-7-11-21(17-23)26(28(34)30-22-12-5-6-13-22)31(19-20-9-3-2-4-10-20)25(32)18-29-27(33)24-15-8-16-36-24/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyIRGOJFOREWRHJW-UHFFFAOYSA-N
MW489.57 g/mol
LogP3.85
Rot. Bonds10

About N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211516) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211516
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C28H31N3O5/c1-35-23-14-7-11-21(17-23)26(28(34)30-22-12-5-6-13-22)31(19-20-9-3-2-4-10-20)25(32)18-29-27(33)24-15-8-16-36-24/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyIRGOJFOREWRHJW-UHFFFAOYSA-N
XLogP3.85
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 3196704
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 25311662
N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40783877
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 6557954
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316244

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 3211516) is N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IRGOJFOREWRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-35-23-14-7-11-21(17-23)26(28(34)30-22-12-5-6-13-22)31(19-20-9-3-2-4-10-20)25(32)18-29-27(33)24-15-8-16-36-24/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).