(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide

C15H18N2O2 — CID 110305319

IUPAC(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C15H18N2O2/c1-11(9-12-5-3-2-4-6-12)15(19)16-10-14(18)17-13-7-8-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,19)(H,17,18)/b11-9+
InChIKeyHBCRWMHXFREYOX-PKNBQFBNSA-N
MW258.32 g/mol
LogP1.48
Rot. Bonds5

About (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 110305319) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID110305319
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C15H18N2O2/c1-11(9-12-5-3-2-4-6-12)15(19)16-10-14(18)17-13-7-8-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,19)(H,17,18)/b11-9+
InChIKeyHBCRWMHXFREYOX-PKNBQFBNSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide
CID 171137253
(2E)-2-benzylidene-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 139636678
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
CID 18163734
2-methyl-N-(2-oxoazepan-4-yl)-3-phenylprop-2-enamide
CID 54223093
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-3-phenylprop-2-enamide
CID 67845595
(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 110301626
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide (CID 110305319) is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is HBCRWMHXFREYOX-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(9-12-5-3-2-4-6-12)15(19)16-10-14(18)17-13-7-8-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,19)(H,17,18)/b11-9+.
What are the key properties of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide?
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 110305319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).