2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide

C18H21N3O — CID 135568517

IUPAC2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
SMILESCC(C)c1ccc(/N=C(\N)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)15-8-10-16(11-9-15)20-18(19)21-17(22)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3,19,20,21,22)
InChIKeyCBKKVBMCUKVNDQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.12
Rot. Bonds4

About 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide

2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide (PubChem CID 135568517) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
PubChem CID135568517
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
SMILESCC(C)c1ccc(/N=C(\N)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)15-8-10-16(11-9-15)20-18(19)21-17(22)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3,19,20,21,22)
InChIKeyCBKKVBMCUKVNDQ-UHFFFAOYSA-N
XLogP3.12
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one
CID 154281794
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
[2-(2-benzylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7671283
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
CID 135447204
bis(carbamothioic S-acid);cumene
CID 87644989

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide?
The IUPAC name of 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide (CID 135568517) is 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide?
The canonical SMILES for 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide is CC(C)c1ccc(/N=C(\N)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide?
The InChIKey is CBKKVBMCUKVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)15-8-10-16(11-9-15)20-18(19)21-17(22)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide?
2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide is sourced from PubChem (CID 135568517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).