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

C22H21NO — CID 58516502

IUPAC(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO/c1-16-7-5-8-18(15-16)13-14-22(24)23-17(2)20-12-6-10-19-9-3-4-11-21(19)20/h3-15,17H,1-2H3,(H,23,24)/b14-13+/t17-/m1/s1
InChIKeyZEFJEXNQDHZZIA-TUQDCPSNSA-N
MW315.42 g/mol
LogP5.04
Rot. Bonds4

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

(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide (PubChem CID 58516502) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide
PubChem CID58516502
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO/c1-16-7-5-8-18(15-16)13-14-22(24)23-17(2)20-12-6-10-19-9-3-4-11-21(19)20/h3-15,17H,1-2H3,(H,23,24)/b14-13+/t17-/m1/s1
InChIKeyZEFJEXNQDHZZIA-TUQDCPSNSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-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)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
N-(1,3-dihydroxypropan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 77065093
(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-hydroxy-4-methylpentan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 61246342
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
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
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883367
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide (CID 58516502) is (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide is Cc1cccc(/C=C/C(=O)N[C@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide?
The InChIKey is ZEFJEXNQDHZZIA-TUQDCPSNSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-7-5-8-18(15-16)13-14-22(24)23-17(2)20-12-6-10-19-9-3-4-11-21(19)20/h3-15,17H,1-2H3,(H,23,24)/b14-13+/t17-/m1/s1.
What are the key properties of (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide?
(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide is sourced from PubChem (CID 58516502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).