N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C25H24N2O2 — CID 46595068

IUPACN-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24N2O2/c1-17(18-11-14-22(15-12-18)27-25(29)21-9-10-21)26-24(28)16-13-20-7-4-6-19-5-2-3-8-23(19)20/h2-8,11-17,21H,9-10H2,1H3,(H,26,28)(H,27,29)/b16-13+
InChIKeyOUVUXNAGBSEAHD-DTQAZKPQSA-N
MW384.48 g/mol
LogP5.08
Rot. Bonds6

About N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46595068) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46595068
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24N2O2/c1-17(18-11-14-22(15-12-18)27-25(29)21-9-10-21)26-24(28)16-13-20-7-4-6-19-5-2-3-8-23(19)20/h2-8,11-17,21H,9-10H2,1H3,(H,26,28)(H,27,29)/b16-13+
InChIKeyOUVUXNAGBSEAHD-DTQAZKPQSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.08
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-[1-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468236
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 51313535
N-[4-[1-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591052
N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591555
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119
4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43888019
N-[4-[1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595169
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[1-[[(E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591691
N-[4-[1-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46402332

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 46595068) is N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OUVUXNAGBSEAHD-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(18-11-14-22(15-12-18)27-25(29)21-9-10-21)26-24(28)16-13-20-7-4-6-19-5-2-3-8-23(19)20/h2-8,11-17,21H,9-10H2,1H3,(H,26,28)(H,27,29)/b16-13+.
What are the key properties of N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46595068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).