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

C22H27N3O4 — CID 3221380

IUPACN-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C22H27N3O4/c26-20(24-18-9-4-5-10-18)16-25(15-17-7-2-1-3-8-17)21(27)12-13-23-22(28)19-11-6-14-29-19/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,23,28)(H,24,26)
InChIKeyMCSDESNVIGEKGM-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.49
Rot. Bonds9

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

N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 3221380) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID3221380
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C22H27N3O4/c26-20(24-18-9-4-5-10-18)16-25(15-17-7-2-1-3-8-17)21(27)12-13-23-22(28)19-11-6-14-29-19/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,23,28)(H,24,26)
InChIKeyMCSDESNVIGEKGM-UHFFFAOYSA-N
XLogP2.49
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl-[2-(cyclohexylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 651716
N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 652241
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-cyclooctylfuran-2-carboxamide
CID 790432
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
CID 164613299
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3228296
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 3221380) is N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide is O=C(CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccco1)NC1CCCC1.
What is the InChIKey of N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is MCSDESNVIGEKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-20(24-18-9-4-5-10-18)16-25(15-17-7-2-1-3-8-17)21(27)12-13-23-22(28)19-11-6-14-29-19/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,23,28)(H,24,26).
What are the key properties of N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 3221380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).