4-(carbamoylamino)-N-(2-methylpropyl)benzamide

C12H17N3O2 — CID 47106060

IUPAC4-(carbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)7-14-11(16)9-3-5-10(6-4-9)15-12(13)17/h3-6,8H,7H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyHOTJROHIQRXOSK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds4

About 4-(carbamoylamino)-N-(2-methylpropyl)benzamide

4-(carbamoylamino)-N-(2-methylpropyl)benzamide (PubChem CID 47106060) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(2-methylpropyl)benzamide
PubChem CID47106060
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(carbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)7-14-11(16)9-3-5-10(6-4-9)15-12(13)17/h3-6,8H,7H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyHOTJROHIQRXOSK-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2527547
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
(1R,2S,3R,4R)-3-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98251749
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 56816645

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(2-methylpropyl)benzamide (CID 47106060) is 4-(carbamoylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is HOTJROHIQRXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)7-14-11(16)9-3-5-10(6-4-9)15-12(13)17/h3-6,8H,7H2,1-2H3,(H,14,16)(H3,13,15,17).
What are the key properties of 4-(carbamoylamino)-N-(2-methylpropyl)benzamide?
4-(carbamoylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47106060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).