2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide

C16H19N3O — CID 71496221

IUPAC2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
SMILESCc1ccc(NCc2ccccc2)c(NC(=O)CN)c1
InChIInChI=1S/C16H19N3O/c1-12-7-8-14(15(9-12)19-16(20)10-17)18-11-13-5-3-2-4-6-13/h2-9,18H,10-11,17H2,1H3,(H,19,20)
InChIKeyCCLQAAFWJITRBW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.50
Rot. Bonds5

About 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide

2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide (PubChem CID 71496221) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
PubChem CID71496221
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
SMILESCc1ccc(NCc2ccccc2)c(NC(=O)CN)c1
InChIInChI=1S/C16H19N3O/c1-12-7-8-14(15(9-12)19-16(20)10-17)18-11-13-5-3-2-4-6-13/h2-9,18H,10-11,17H2,1H3,(H,19,20)
InChIKeyCCLQAAFWJITRBW-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N-benzyl-2-bromo-4-methylaniline
CID 11242845
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-benzyl-2-chloro-5-methylaniline
CID 83290853
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide
CID 120586662
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide?
The IUPAC name of 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide (CID 71496221) is 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide is Cc1ccc(NCc2ccccc2)c(NC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide?
The InChIKey is CCLQAAFWJITRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-7-8-14(15(9-12)19-16(20)10-17)18-11-13-5-3-2-4-6-13/h2-9,18H,10-11,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide?
2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide is sourced from PubChem (CID 71496221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).