N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide

C20H24N4O3 — CID 55972242

IUPACN-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2NC(=O)NC(C)C)ccc1C
InChIInChI=1S/C20H24N4O3/c1-12(2)21-20(27)24-17-8-6-5-7-16(17)19(26)23-15-10-9-13(3)18(11-15)22-14(4)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyUUGNXDIFMMVCJW-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.74
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide

N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55972242) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55972242
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2NC(=O)NC(C)C)ccc1C
InChIInChI=1S/C20H24N4O3/c1-12(2)21-20(27)24-17-8-6-5-7-16(17)19(26)23-15-10-9-13(3)18(11-15)22-14(4)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyUUGNXDIFMMVCJW-UHFFFAOYSA-N
XLogP3.74
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 52714170
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide (CID 55972242) is N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide is CC(=O)Nc1cc(NC(=O)c2ccccc2NC(=O)NC(C)C)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is UUGNXDIFMMVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)21-20(27)24-17-8-6-5-7-16(17)19(26)23-15-10-9-13(3)18(11-15)22-14(4)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55972242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).