N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide

C15H22N2O3 — CID 24633715

IUPACN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1CCC(NC(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)17-14(18)8-9-16-15(19)13-3-2-10-20-13/h2-3,10-12H,4-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHERHWSWZDFOZAU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.09
Rot. Bonds5

About N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 24633715) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID24633715
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC1CCC(NC(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)17-14(18)8-9-16-15(19)13-3-2-10-20-13/h2-3,10-12H,4-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHERHWSWZDFOZAU-UHFFFAOYSA-N
XLogP2.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 114631244
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 86998394

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 24633715) is N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide is CC1CCC(NC(=O)CCNC(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is HERHWSWZDFOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)17-14(18)8-9-16-15(19)13-3-2-10-20-13/h2-3,10-12H,4-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 24633715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).