N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide

C18H22N2O3 — CID 51103926

IUPACN-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)8-10-19-17(21)14(2)20-18(22)16-9-11-23-12-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyABNMQPASWZUIMP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.71
Rot. Bonds7

About N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide (PubChem CID 51103926) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
PubChem CID51103926
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)8-10-19-17(21)14(2)20-18(22)16-9-11-23-12-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyABNMQPASWZUIMP-UHFFFAOYSA-N
XLogP2.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(3-phenylbutyl)benzamide
CID 62403316
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255513
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide (CID 51103926) is N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCCC(C)c1ccccc1.
What is the InChIKey of N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide?
The InChIKey is ABNMQPASWZUIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)8-10-19-17(21)14(2)20-18(22)16-9-11-23-12-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51103926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).