N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide

C20H26N2O — CID 109031682

IUPACN-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccccc1NCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O/c1-16(2)22(15-18-10-5-4-6-11-18)20(23)13-14-21-19-12-8-7-9-17(19)3/h4-12,16,21H,13-15H2,1-3H3
InChIKeyJATRXPSLRYRWBE-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.23
Rot. Bonds7

About N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide

N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide (PubChem CID 109031682) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
PubChem CID109031682
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccccc1NCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O/c1-16(2)22(15-18-10-5-4-6-11-18)20(23)13-14-21-19-12-8-7-9-17(19)3/h4-12,16,21H,13-15H2,1-3H3
InChIKeyJATRXPSLRYRWBE-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
CID 24628021
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
methyl 3-[[3-[benzyl(propan-2-yl)amino]-3-oxopropyl]amino]-4-chlorobenzoate
CID 109031738
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
1-benzyl-3-(2-methylphenyl)-1-propan-2-ylthiourea
CID 8616181
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide (CID 109031682) is N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide is Cc1ccccc1NCCC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide?
The InChIKey is JATRXPSLRYRWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)22(15-18-10-5-4-6-11-18)20(23)13-14-21-19-12-8-7-9-17(19)3/h4-12,16,21H,13-15H2,1-3H3.
What are the key properties of N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide?
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 109031682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).