N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C17H17N3O3 — CID 71934895

IUPACN-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(CC#N)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-20(10-9-18)17(22)14(12-13-6-3-2-4-7-13)19-16(21)15-8-5-11-23-15/h2-8,11,14H,10,12H2,1H3,(H,19,21)
InChIKeyPFZSHVSREVNUIZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.60
Rot. Bonds6

About N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 71934895) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID71934895
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(CC#N)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-20(10-9-18)17(22)14(12-13-6-3-2-4-7-13)19-16(21)15-8-5-11-23-15/h2-8,11,14H,10,12H2,1H3,(H,19,21)
InChIKeyPFZSHVSREVNUIZ-UHFFFAOYSA-N
XLogP1.60
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112792526
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112817410

Frequently Asked Questions

What is the IUPAC name of N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 71934895) is N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CN(CC#N)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is PFZSHVSREVNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(10-9-18)17(22)14(12-13-6-3-2-4-7-13)19-16(21)15-8-5-11-23-15/h2-8,11,14H,10,12H2,1H3,(H,19,21).
What are the key properties of N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71934895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).