4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide

C17H19N3O2 — CID 29205734

IUPAC4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-11-7-12(2)9-15(8-11)20-16(21)14-5-3-13(4-6-14)10-19-17(18)22/h3-9H,10H2,1-2H3,(H,20,21)(H3,18,19,22)
InChIKeyKNPQFFJWXBDHRB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.72
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide

4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide (PubChem CID 29205734) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
PubChem CID29205734
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-11-7-12(2)9-15(8-11)20-16(21)14-5-3-13(4-6-14)10-19-17(18)22/h3-9H,10H2,1-2H3,(H,20,21)(H3,18,19,22)
InChIKeyKNPQFFJWXBDHRB-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 32959002

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide (CID 29205734) is 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(CNC(N)=O)cc2)c1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is KNPQFFJWXBDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-7-12(2)9-15(8-11)20-16(21)14-5-3-13(4-6-14)10-19-17(18)22/h3-9H,10H2,1-2H3,(H,20,21)(H3,18,19,22).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 29205734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).