4-[(carbamoylamino)methyl]-N-methylbenzamide

C10H13N3O2 — CID 39969427

IUPAC4-[(carbamoylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C10H13N3O2/c1-12-9(14)8-4-2-7(3-5-8)6-13-10(11)15/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,15)
InChIKeyZXBHPAZBPGGROC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.21
Rot. Bonds3

About 4-[(carbamoylamino)methyl]-N-methylbenzamide

4-[(carbamoylamino)methyl]-N-methylbenzamide (PubChem CID 39969427) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-methylbenzamide
PubChem CID39969427
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-[(carbamoylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C10H13N3O2/c1-12-9(14)8-4-2-7(3-5-8)6-13-10(11)15/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,15)
InChIKeyZXBHPAZBPGGROC-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-methylbenzamide (CID 39969427) is 4-[(carbamoylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-methylbenzamide?
The InChIKey is ZXBHPAZBPGGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-9(14)8-4-2-7(3-5-8)6-13-10(11)15/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,15).
What are the key properties of 4-[(carbamoylamino)methyl]-N-methylbenzamide?
4-[(carbamoylamino)methyl]-N-methylbenzamide has a molecular weight of 207.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 39969427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).