N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide

C15H18N2O2 — CID 32968682

IUPACN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H18N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-6,9,13H,7-8,10-11H2,(H,16,18)(H,17,19)/b9-6+
InChIKeyXIPYKMUONPLESI-RMKNXTFCSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 32968682) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID32968682
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H18N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-6,9,13H,7-8,10-11H2,(H,16,18)(H,17,19)/b9-6+
InChIKeyXIPYKMUONPLESI-RMKNXTFCSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 131846680
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide (CID 32968682) is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide is O=C(/C=C/c1ccccc1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is XIPYKMUONPLESI-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-6,9,13H,7-8,10-11H2,(H,16,18)(H,17,19)/b9-6+.
What are the key properties of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 32968682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).