N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide

C20H24N2O2 — CID 108571670

IUPACN-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)17-8-10-18(11-9-17)20(24)22-13-12-21-19(23)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPSQCVINQSBZRAH-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide

N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide (PubChem CID 108571670) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
PubChem CID108571670
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)17-8-10-18(11-9-17)20(24)22-13-12-21-19(23)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPSQCVINQSBZRAH-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide 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

4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
CID 71019277
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
CID 108570352
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide (CID 108571670) is N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide?
The InChIKey is PSQCVINQSBZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)17-8-10-18(11-9-17)20(24)22-13-12-21-19(23)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide?
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).