2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide

C14H23N3O — CID 55017214

IUPAC2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(CN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-11(2)9-17(10-14(16)18)13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,18)
InChIKeyIDKIYEDDRXRYOG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.13
Rot. Bonds7

About 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide

2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide (PubChem CID 55017214) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
PubChem CID55017214
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(CN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-11(2)9-17(10-14(16)18)13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,18)
InChIKeyIDKIYEDDRXRYOG-UHFFFAOYSA-N
XLogP1.13
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)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

2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55022594
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide (CID 55017214) is 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)C(CN)c1ccccc1.
What is the InChIKey of 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is IDKIYEDDRXRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)9-17(10-14(16)18)13(8-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide?
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 55017214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).