N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide

C15H24N2O — CID 28770124

IUPACN-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
SMILESCCCC(=O)N(CCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-15(18)17(11-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyLXPNLUCIFLRXJO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds6

About N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide

N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 28770124) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID28770124
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
SMILESCCCC(=O)N(CCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-15(18)17(11-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyLXPNLUCIFLRXJO-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide 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-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
CID 28768117
2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
CID 53416887
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
CID 28769527
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
N-(2-aminoethyl)-N-(4-ethylphenyl)-2-methylpropanamide
CID 28770054
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
CID 154651058
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
4-[butanoyl(2-carboxypropyl)amino]benzoic acid
CID 82320832
4-amino-N-butyl-N-phenylpentanamide
CID 64585388

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide (CID 28770124) is N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide is CCCC(=O)N(CCN)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is LXPNLUCIFLRXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-15(18)17(11-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide?
N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 28770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).