N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C14H22N2O4 — CID 110878208

IUPACN-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCC(CO)NC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C14H22N2O4/c1-4-10(8-17)15-14(19)12(9(2)3)16-13(18)11-6-5-7-20-11/h5-7,9-10,12,17H,4,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyJAHWLGLUUIBBGE-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.92
Rot. Bonds7

About N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 110878208) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID110878208
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCC(CO)NC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C14H22N2O4/c1-4-10(8-17)15-14(19)12(9(2)3)16-13(18)11-6-5-7-20-11/h5-7,9-10,12,17H,4,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyJAHWLGLUUIBBGE-UHFFFAOYSA-N
XLogP0.92
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55371879
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 110878208) is N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCC(CO)NC(=O)C(NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is JAHWLGLUUIBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-10(8-17)15-14(19)12(9(2)3)16-13(18)11-6-5-7-20-11/h5-7,9-10,12,17H,4,8H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 110878208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).