N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide

C17H28N2O — CID 63753493

IUPACN-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCN)C(=O)CCc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-16(5-2)19(13-12-18)17(20)11-10-15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,18H2,1-3H3
InChIKeyIETCNOLZYLMUBH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds8

About N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide

N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide (PubChem CID 63753493) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
PubChem CID63753493
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCN)C(=O)CCc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-16(5-2)19(13-12-18)17(20)11-10-15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,18H2,1-3H3
InChIKeyIETCNOLZYLMUBH-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62365153
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 81322315
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951
N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 77044659
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide (CID 63753493) is N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide is CCC(CC)N(CCN)C(=O)CCc1ccccc1C.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide?
The InChIKey is IETCNOLZYLMUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16(5-2)19(13-12-18)17(20)11-10-15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,18H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide?
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63753493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).