N-methyl-4-(2-methylpropylcarbamoylamino)benzamide

C13H19N3O2 — CID 47200661

IUPACN-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)8-15-13(18)16-11-6-4-10(5-7-11)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyIRTRMZXNBIRECH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-4-(2-methylpropylcarbamoylamino)benzamide

N-methyl-4-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 47200661) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropylcarbamoylamino)benzamide
PubChem CID47200661
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)8-15-13(18)16-11-6-4-10(5-7-11)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyIRTRMZXNBIRECH-UHFFFAOYSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-(2-methylpropylcarbamoylamino)benzamide 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

N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
methyl 4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]carbamoylamino]benzoate
CID 166872286
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of N-methyl-4-(2-methylpropylcarbamoylamino)benzamide (CID 47200661) is N-methyl-4-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-methyl-4-(2-methylpropylcarbamoylamino)benzamide is CNC(=O)c1ccc(NC(=O)NCC(C)C)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is IRTRMZXNBIRECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)8-15-13(18)16-11-6-4-10(5-7-11)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47200661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).