4-amino-N-(2-methylpropylcarbamoyl)benzamide

C12H17N3O2 — CID 108867331

IUPAC4-amino-N-(2-methylpropylcarbamoyl)benzamide
SMILESCC(C)CNC(=O)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQTPWEXHLSTNOE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.36
Rot. Bonds3

About 4-amino-N-(2-methylpropylcarbamoyl)benzamide

4-amino-N-(2-methylpropylcarbamoyl)benzamide (PubChem CID 108867331) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropylcarbamoyl)benzamide
PubChem CID108867331
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-N-(2-methylpropylcarbamoyl)benzamide
SMILESCC(C)CNC(=O)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQTPWEXHLSTNOE-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminopropyl)benzamide
CID 130891998
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
CID 108874660
N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530028
4-amino-N-(phenoxymethylcarbamoyl)benzamide
CID 108888975
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-(2-nitroacetyl)benzamide
CID 108814472
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropylcarbamoyl)benzamide?
The IUPAC name of 4-amino-N-(2-methylpropylcarbamoyl)benzamide (CID 108867331) is 4-amino-N-(2-methylpropylcarbamoyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-methylpropylcarbamoyl)benzamide?
The canonical SMILES for 4-amino-N-(2-methylpropylcarbamoyl)benzamide is CC(C)CNC(=O)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-methylpropylcarbamoyl)benzamide?
The InChIKey is ZQTPWEXHLSTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-amino-N-(2-methylpropylcarbamoyl)benzamide?
4-amino-N-(2-methylpropylcarbamoyl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropylcarbamoyl)benzamide is sourced from PubChem (CID 108867331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).