N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide

C22H30N2O — CID 11724725

IUPACN-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C(C)CCN(C)CCc1ccccc1
InChIInChI=1S/C22H30N2O/c1-4-22(25)24(21-13-9-6-10-14-21)19(2)15-17-23(3)18-16-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3
InChIKeyTVSLDWMMAUJGPV-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.38
Rot. Bonds9

About N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide

N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide (PubChem CID 11724725) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
PubChem CID11724725
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C(C)CCN(C)CCc1ccccc1
InChIInChI=1S/C22H30N2O/c1-4-22(25)24(21-13-9-6-10-14-21)19(2)15-17-23(3)18-16-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3
InChIKeyTVSLDWMMAUJGPV-UHFFFAOYSA-N
XLogP4.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-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

1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide
CID 163964765
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090592
2-(N-propanoylanilino)butanedioic acid
CID 174719289
but-2-enedioic acid;3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090594
ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 65486141
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide (CID 11724725) is N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C(C)CCN(C)CCc1ccccc1.
What is the InChIKey of N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide?
The InChIKey is TVSLDWMMAUJGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-4-22(25)24(21-13-9-6-10-14-21)19(2)15-17-23(3)18-16-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3.
What are the key properties of N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide?
N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide has a molecular weight of 338.50 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide is sourced from PubChem (CID 11724725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).