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

C14H20N2O4 — CID 43389127

IUPACN-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NC1CCC(O)CC1
InChIInChI=1S/C14H20N2O4/c17-11-5-3-10(4-6-11)16-13(18)7-8-15-14(19)12-2-1-9-20-12/h1-2,9-11,17H,3-8H2,(H,15,19)(H,16,18)
InChIKeyWZDGJNHAMRMACT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.82
Rot. Bonds5

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

N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 43389127) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID43389127
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NC1CCC(O)CC1
InChIInChI=1S/C14H20N2O4/c17-11-5-3-10(4-6-11)16-13(18)7-8-15-14(19)12-2-1-9-20-12/h1-2,9-11,17H,3-8H2,(H,15,19)(H,16,18)
InChIKeyWZDGJNHAMRMACT-UHFFFAOYSA-N
XLogP0.82
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
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-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
CID 74451422
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 3221380
3-(furan-2-carbonylamino)propanoic acid
CID 762504

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 43389127) is N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NC1CCC(O)CC1.
What is the InChIKey of N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is WZDGJNHAMRMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-11-5-3-10(4-6-11)16-13(18)7-8-15-14(19)12-2-1-9-20-12/h1-2,9-11,17H,3-8H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 43389127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).