3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide

C19H23N3O2 — CID 31873928

IUPAC3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-7-5-6-16(11-17)21-18(23)15-9-13(3)8-14(4)10-15/h5-12H,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyQQXCGDFKZPEXOV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.09
Rot. Bonds4

About 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide

3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 31873928) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID31873928
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-7-5-6-16(11-17)21-18(23)15-9-13(3)8-14(4)10-15/h5-12H,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyQQXCGDFKZPEXOV-UHFFFAOYSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 13206616
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869
1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
CID 31888506
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 31873928) is 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is QQXCGDFKZPEXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-7-5-6-16(11-17)21-18(23)15-9-13(3)8-14(4)10-15/h5-12H,1-4H3,(H,21,23)(H2,20,22,24).
What are the key properties of 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide?
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 31873928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).