2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C27H27NO — CID 5011136

IUPAC2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1ccccc1C(=O)N(CC=Cc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C27H27NO/c1-21-11-5-7-17-24(21)27(29)28(20-10-14-22-12-3-2-4-13-22)26-19-9-16-23-15-6-8-18-25(23)26/h2-8,10-15,17-18,26H,9,16,19-20H2,1H3
InChIKeyXPIULYHMIGYAGG-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.23
Rot. Bonds5

About 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 5011136) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID5011136
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1ccccc1C(=O)N(CC=Cc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C27H27NO/c1-21-11-5-7-17-24(21)27(29)28(20-10-14-22-12-3-2-4-13-22)26-19-9-16-23-15-6-8-18-25(23)26/h2-8,10-15,17-18,26H,9,16,19-20H2,1H3
InChIKeyXPIULYHMIGYAGG-UHFFFAOYSA-N
XLogP6.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 42696857
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
CID 146098026
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7202031
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 55366721
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
5-[[3-[(E)-phenylmethoxyiminomethyl]phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 87964534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 5011136) is 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is Cc1ccccc1C(=O)N(CC=Cc1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is XPIULYHMIGYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-21-11-5-7-17-24(21)27(29)28(20-10-14-22-12-3-2-4-13-22)26-19-9-16-23-15-6-8-18-25(23)26/h2-8,10-15,17-18,26H,9,16,19-20H2,1H3.
What are the key properties of 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 381.52 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylprop-2-enyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 5011136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).