N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide

C12H18N2O4 — CID 43418787

IUPACN-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
SMILESCC(CO)NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(8-15)14-11(16)5-2-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,13,17)(H,14,16)
InChIKeyGMYBDACWJWRWHN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.29
Rot. Bonds7

About N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide

N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide (PubChem CID 43418787) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
PubChem CID43418787
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
SMILESCC(CO)NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-9(8-15)14-11(16)5-2-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,13,17)(H,14,16)
InChIKeyGMYBDACWJWRWHN-UHFFFAOYSA-N
XLogP0.29
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
CID 103722946
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide (CID 43418787) is N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide is CC(CO)NC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The InChIKey is GMYBDACWJWRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(8-15)14-11(16)5-2-6-13-12(17)10-4-3-7-18-10/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 43418787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).