N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide

C22H31N3O — CID 109020375

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)20-12-13-21(17(3)16-20)24-22(26)14-15-23-18(4)19-10-8-7-9-11-19/h7-13,16,18,23H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyZYVLFUIXCBZXAN-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.52
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide (PubChem CID 109020375) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide
PubChem CID109020375
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)20-12-13-21(17(3)16-20)24-22(26)14-15-23-18(4)19-10-8-7-9-11-19/h7-13,16,18,23H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyZYVLFUIXCBZXAN-UHFFFAOYSA-N
XLogP4.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide 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-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428231
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide (CID 109020375) is N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide is CCN(CC)c1ccc(NC(=O)CCNC(C)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide?
The InChIKey is ZYVLFUIXCBZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-25(6-2)20-12-13-21(17(3)16-20)24-22(26)14-15-23-18(4)19-10-8-7-9-11-19/h7-13,16,18,23H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 109020375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).