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

C22H21NO — CID 20744344

IUPAC(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H21NO/c1-16-7-3-4-8-18(16)13-14-22(24)23-17(2)20-12-11-19-9-5-6-10-21(19)15-20/h3-15,17H,1-2H3,(H,23,24)/b14-13+
InChIKeyAZKXEQJFENCZGR-BUHFOSPRSA-N
MW315.42 g/mol
LogP5.04
Rot. Bonds4

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

(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide (PubChem CID 20744344) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
PubChem CID20744344
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H21NO/c1-16-7-3-4-8-18(16)13-14-22(24)23-17(2)20-12-11-19-9-5-6-10-21(19)15-20/h3-15,17H,1-2H3,(H,23,24)/b14-13+
InChIKeyAZKXEQJFENCZGR-BUHFOSPRSA-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'}

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
(E)-3-(2-methylphenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473299
3-(2-methylphenyl)-N-[(1S)-1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 91235343
(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744351
3-(2-fluorophenyl)-N-[1-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 4634324
methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]propanoate
CID 60637866
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
4-[3-(2-methylphenyl)prop-2-enoylamino]pentanoic acid
CID 77020437
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide (CID 20744344) is (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide?
The InChIKey is AZKXEQJFENCZGR-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-7-3-4-8-18(16)13-14-22(24)23-17(2)20-12-11-19-9-5-6-10-21(19)15-20/h3-15,17H,1-2H3,(H,23,24)/b14-13+.
What are the key properties of (E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide?
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-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-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 20744344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).