N-benzyl-2-methyl-N-propan-2-ylbenzamide

C18H21NO — CID 562391

IUPACN-benzyl-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H21NO/c1-14(2)19(13-16-10-5-4-6-11-16)18(20)17-12-8-7-9-15(17)3/h4-12,14H,13H2,1-3H3
InChIKeyYPYFJNMWGVMWNF-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds4

About N-benzyl-2-methyl-N-propan-2-ylbenzamide

N-benzyl-2-methyl-N-propan-2-ylbenzamide (PubChem CID 562391) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-propan-2-ylbenzamide
PubChem CID562391
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H21NO/c1-14(2)19(13-16-10-5-4-6-11-16)18(20)17-12-8-7-9-15(17)3/h4-12,14H,13H2,1-3H3
InChIKeyYPYFJNMWGVMWNF-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
[4-[[butan-2-yl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 3282352
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-2-methyl-N-propan-2-ylbenzamide (CID 562391) is N-benzyl-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-2-methyl-N-propan-2-ylbenzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is YPYFJNMWGVMWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(2)19(13-16-10-5-4-6-11-16)18(20)17-12-8-7-9-15(17)3/h4-12,14H,13H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-N-propan-2-ylbenzamide?
N-benzyl-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 562391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).