N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C16H15N3O3 — CID 71934697

IUPACN-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESN#CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c17-8-9-18-15(20)13(11-12-5-2-1-3-6-12)19-16(21)14-7-4-10-22-14/h1-7,10,13H,9,11H2,(H,18,20)(H,19,21)
InChIKeyPPOAGXRGCJTSSK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.26
Rot. Bonds6

About N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 71934697) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID71934697
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESN#CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c17-8-9-18-15(20)13(11-12-5-2-1-3-6-12)19-16(21)14-7-4-10-22-14/h1-7,10,13H,9,11H2,(H,18,20)(H,19,21)
InChIKeyPPOAGXRGCJTSSK-UHFFFAOYSA-N
XLogP1.26
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934895
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 111445302
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 71934697) is N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is N#CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is PPOAGXRGCJTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-8-9-18-15(20)13(11-12-5-2-1-3-6-12)19-16(21)14-7-4-10-22-14/h1-7,10,13H,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71934697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).