N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide

C22H30N2O — CID 4877514

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(C)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-15(2)19-12-9-13-20(16(3)4)22(19)24-21(25)14-23-17(5)18-10-7-6-8-11-18/h6-13,15-17,23H,14H2,1-5H3,(H,24,25)
InChIKeyPOLWYDAZFUFJCU-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.22
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide (PubChem CID 4877514) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
PubChem CID4877514
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(C)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-15(2)19-12-9-13-20(16(3)4)22(19)24-21(25)14-23-17(5)18-10-7-6-8-11-18/h6-13,15-17,23H,14H2,1-5H3,(H,24,25)
InChIKeyPOLWYDAZFUFJCU-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide 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-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide (CID 4877514) is N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CNC(C)c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide?
The InChIKey is POLWYDAZFUFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15(2)19-12-9-13-20(16(3)4)22(19)24-21(25)14-23-17(5)18-10-7-6-8-11-18/h6-13,15-17,23H,14H2,1-5H3,(H,24,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide has a molecular weight of 338.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 4877514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).