(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide

C21H19NO — CID 15828773

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H19NO/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-21(23)15-14-17-8-3-2-4-9-17/h2-16H,1H3,(H,22,23)/b15-14+/t16-/m1/s1
InChIKeyROHZAJWAKJJQJN-UTZKEFOASA-N
MW301.39 g/mol
LogP4.73
Rot. Bonds4

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide (PubChem CID 15828773) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
PubChem CID15828773
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H19NO/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-21(23)15-14-17-8-3-2-4-9-17/h2-16H,1H3,(H,22,23)/b15-14+/t16-/m1/s1
InChIKeyROHZAJWAKJJQJN-UTZKEFOASA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide
CID 58516502
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
N-[(1S)-1-naphthalen-1-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621819
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide (CID 15828773) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide?
The InChIKey is ROHZAJWAKJJQJN-UTZKEFOASA-N. The full InChI is InChI=1S/C21H19NO/c1-16(19-13-7-11-18-10-5-6-12-20(18)19)22-21(23)15-14-17-8-3-2-4-9-17/h2-16H,1H3,(H,22,23)/b15-14+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 15828773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).