N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide

C12H18N2O4 — CID 109388581

IUPACN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(CO)N(C)C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(8-15)14(2)11(16)5-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,13,17)
InChIKeyOWLBMZVMIICHQV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds6

About N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 109388581) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID109388581
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(CO)N(C)C(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(8-15)14(2)11(16)5-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,13,17)
InChIKeyOWLBMZVMIICHQV-UHFFFAOYSA-N
XLogP0.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]furan-2-carboxamide
CID 104554025
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 109388581) is N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide is CC(CO)N(C)C(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is OWLBMZVMIICHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(8-15)14(2)11(16)5-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,13,17).
What are the key properties of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 109388581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).