3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide

C22H28N4O2 — CID 119735230

IUPAC3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-14(20(23)17-6-4-3-5-7-17)21(27)24-15(2)16-8-10-18(11-9-16)25-22(28)26-19-12-13-19/h3-11,14-15,19-20H,12-13,23H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyFCUPGJOCVGLPIK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.48
Rot. Bonds7

About 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119735230) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119735230
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-14(20(23)17-6-4-3-5-7-17)21(27)24-15(2)16-8-10-18(11-9-16)25-22(28)26-19-12-13-19/h3-11,14-15,19-20H,12-13,23H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyFCUPGJOCVGLPIK-UHFFFAOYSA-N
XLogP3.48
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-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-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide (CID 119735230) is 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide is CC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is FCUPGJOCVGLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(20(23)17-6-4-3-5-7-17)21(27)24-15(2)16-8-10-18(11-9-16)25-22(28)26-19-12-13-19/h3-11,14-15,19-20H,12-13,23H2,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119735230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).