4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C19H22N4O3 — CID 36557221

IUPAC4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)17(24)22-15-7-9-16(10-8-15)23-18(25)14-5-3-13(4-6-14)11-21-19(20)26/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyLLDMAYBJDJPPFB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.70
Rot. Bonds6

About 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide

4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 36557221) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID36557221
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)17(24)22-15-7-9-16(10-8-15)23-18(25)14-5-3-13(4-6-14)11-21-19(20)26/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyLLDMAYBJDJPPFB-UHFFFAOYSA-N
XLogP2.70
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
CID 51334218
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 36557221) is 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is LLDMAYBJDJPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)17(24)22-15-7-9-16(10-8-15)23-18(25)14-5-3-13(4-6-14)11-21-19(20)26/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25)(H3,20,21,26).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 36557221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).