2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide

C16H27N3O — CID 81491089

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)14(17)9-10-19(4)11-16(20)18-15-8-6-5-7-13(15)3/h5-8,12,14H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyANEUZPBMWZFSJX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.24
Rot. Bonds7

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 81491089) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
PubChem CID81491089
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)14(17)9-10-19(4)11-16(20)18-15-8-6-5-7-13(15)3/h5-8,12,14H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyANEUZPBMWZFSJX-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
N-(2-acetylphenyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287860
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide (CID 81491089) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C)CCC(N)C(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is ANEUZPBMWZFSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)14(17)9-10-19(4)11-16(20)18-15-8-6-5-7-13(15)3/h5-8,12,14H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81491089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).