N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide

C16H27N3O — CID 79477006

IUPACN-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyZLTNUJZRKXLJSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide

N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide (PubChem CID 79477006) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
PubChem CID79477006
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(CC)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyZLTNUJZRKXLJSS-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide 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-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 54987420
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide (CID 79477006) is N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide is CCC(C)CN(CC)CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
The InChIKey is ZLTNUJZRKXLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13(3)11-19(5-2)12-16(20)18-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide?
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 79477006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).