3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide

C21H26N2O — CID 119948804

IUPAC3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16(18-12-13-18)23(15-17-8-4-2-5-9-17)21(24)14-20(22)19-10-6-3-7-11-19/h2-11,16,18,20H,12-15,22H2,1H3
InChIKeyMZQDRUSIZBVZDH-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.90
Rot. Bonds7

About 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide

3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide (PubChem CID 119948804) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
PubChem CID119948804
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16(18-12-13-18)23(15-17-8-4-2-5-9-17)21(24)14-20(22)19-10-6-3-7-11-19/h2-11,16,18,20H,12-15,22H2,1H3
InChIKeyMZQDRUSIZBVZDH-UHFFFAOYSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide 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

3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-N-(1-cyclopropylethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 55399369
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
CID 65229551
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide (CID 119948804) is 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide?
The InChIKey is MZQDRUSIZBVZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(18-12-13-18)23(15-17-8-4-2-5-9-17)21(24)14-20(22)19-10-6-3-7-11-19/h2-11,16,18,20H,12-15,22H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide?
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide is sourced from PubChem (CID 119948804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).