N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide

C24H33N3O2 — CID 120885192

IUPACN-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(CC(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)18-22(28)26-21-11-9-20(10-12-21)17-23(29)27(16-14-25)15-13-19-7-5-4-6-8-19/h4-12H,13-18,25H2,1-3H3,(H,26,28)
InChIKeyHQOGJRFGUFKEJX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.63
Rot. Bonds9

About N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide

N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide (PubChem CID 120885192) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide
PubChem CID120885192
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(CC(=O)N(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)18-22(28)26-21-11-9-20(10-12-21)17-23(29)27(16-14-25)15-13-19-7-5-4-6-8-19/h4-12H,13-18,25H2,1-3H3,(H,26,28)
InChIKeyHQOGJRFGUFKEJX-UHFFFAOYSA-N
XLogP3.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide 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-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
CID 120886994
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide (CID 120885192) is N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(CC(=O)N(CCN)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide?
The InChIKey is HQOGJRFGUFKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,3)18-22(28)26-21-11-9-20(10-12-21)17-23(29)27(16-14-25)15-13-19-7-5-4-6-8-19/h4-12H,13-18,25H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide?
N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 395.55 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 120885192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).