N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide

C22H28N2O2 — CID 42696880

IUPACN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)15-21(25)24-16-22(26)23-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWLSOOAZFWLVLQZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.49
Rot. Bonds9

About N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide

N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 42696880) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID42696880
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)15-21(25)24-16-22(26)23-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWLSOOAZFWLVLQZ-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide 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

(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 42703936
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide (CID 42696880) is N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is WLSOOAZFWLVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)15-21(25)24-16-22(26)23-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide?
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 42696880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).