N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide

C18H21N3O2 — CID 41397541

IUPACN-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(2)15-10-6-7-11-16(15)19-12-17(22)21-18(23)20-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyNVDDDDFYVGUPMY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.57
Rot. Bonds5

About N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide

N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide (PubChem CID 41397541) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
PubChem CID41397541
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(2)15-10-6-7-11-16(15)19-12-17(22)21-18(23)20-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyNVDDDDFYVGUPMY-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260
N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
CID 60685501
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
CID 33161990
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide (CID 41397541) is N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide is CC(C)c1ccccc1NCC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is NVDDDDFYVGUPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)15-10-6-7-11-16(15)19-12-17(22)21-18(23)20-14-8-4-3-5-9-14/h3-11,13,19H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide?
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 41397541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).