N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide

C21H25NO — CID 85152203

IUPACN-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
SMILESCC(=Cc1ccccc1)CN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C21H25NO/c1-17(2)15-22(21(23)20-12-8-5-9-13-20)16-18(3)14-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3
InChIKeyMISLAJUFNHNXBK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.89
Rot. Bonds6

About N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide

N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide (PubChem CID 85152203) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
PubChem CID85152203
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
SMILESCC(=Cc1ccccc1)CN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C21H25NO/c1-17(2)15-22(21(23)20-12-8-5-9-13-20)16-18(3)14-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3
InChIKeyMISLAJUFNHNXBK-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 73074312
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42702375
2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)acetamide
CID 42702376
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128
N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697725
N-(2-methylpropyl)-N-(3-phenylbut-2-enyl)acetamide
CID 76600085
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide (CID 85152203) is N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide is CC(=Cc1ccccc1)CN(CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide?
The InChIKey is MISLAJUFNHNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-17(2)15-22(21(23)20-12-8-5-9-13-20)16-18(3)14-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3.
What are the key properties of N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide?
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide has a molecular weight of 307.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 85152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).