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

C14H22N2O4 — CID 111460641

IUPACN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(2)11(17)5-7-15-13(18)6-8-16-14(19)12-4-3-9-20-12/h3-4,9-11,17H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWDRACCKTWQHJAF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.92
Rot. Bonds8

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

N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 111460641) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID111460641
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(2)11(17)5-7-15-13(18)6-8-16-14(19)12-4-3-9-20-12/h3-4,9-11,17H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWDRACCKTWQHJAF-UHFFFAOYSA-N
XLogP0.92
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 103876816
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
3-(furan-2-carbonylamino)propanoic acid
CID 762504

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 111460641) is N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide is CC(C)C(O)CCNC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is WDRACCKTWQHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)11(17)5-7-15-13(18)6-8-16-14(19)12-4-3-9-20-12/h3-4,9-11,17H,5-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 111460641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).