4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

C19H22N4O3 — CID 38166611

IUPAC4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)20-19(26)23-17-10-8-16(9-11-17)22-18(25)14-4-6-15(7-5-14)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyBDGNHWBYFLXNRK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.43
Rot. Bonds5

About 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 38166611) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID38166611
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)20-19(26)23-17-10-8-16(9-11-17)22-18(25)14-4-6-15(7-5-14)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyBDGNHWBYFLXNRK-UHFFFAOYSA-N
XLogP3.43
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 38166611) is 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is BDGNHWBYFLXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)20-19(26)23-17-10-8-16(9-11-17)22-18(25)14-4-6-15(7-5-14)21-13(3)24/h4-12H,1-3H3,(H,21,24)(H,22,25)(H2,20,23,26).
What are the key properties of 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 38166611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).