3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide

C20H22N2O2 — CID 91453765

IUPAC3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1c(C)ccc(C(N)=O)c1CC1CC1
InChIInChI=1S/C20H22N2O2/c1-11-3-7-16(20(22)24)17(10-13-4-5-13)18(11)15-8-6-14(19(21)23)9-12(15)2/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyJDFPKAULLVGANG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.12
Rot. Bonds5

About 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide

3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide (PubChem CID 91453765) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide
PubChem CID91453765
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1c(C)ccc(C(N)=O)c1CC1CC1
InChIInChI=1S/C20H22N2O2/c1-11-3-7-16(20(22)24)17(10-13-4-5-13)18(11)15-8-6-14(19(21)23)9-12(15)2/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyJDFPKAULLVGANG-UHFFFAOYSA-N
XLogP3.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
CID 69162594
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
4-(cyclobutylmethyl)benzamide
CID 174975666
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide
CID 75448521
4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide
CID 174224416
4-methyl-3-phosphanylbenzamide
CID 142140528
4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 170764185

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide?
The IUPAC name of 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide (CID 91453765) is 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1c(C)ccc(C(N)=O)c1CC1CC1.
What is the InChIKey of 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide?
The InChIKey is JDFPKAULLVGANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-11-3-7-16(20(22)24)17(10-13-4-5-13)18(11)15-8-6-14(19(21)23)9-12(15)2/h3,6-9,13H,4-5,10H2,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide?
3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide is sourced from PubChem (CID 91453765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).