3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide

C22H29N3O2 — CID 131941645

IUPAC3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-15-12-18(10-11-19(15)24-21(27)22(2,3)4)23-20(26)17-9-7-8-16(13-17)14-25(5)6/h7-13H,14H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyPLDBXMIAOIWVFE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.29
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide

3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide (PubChem CID 131941645) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
PubChem CID131941645
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-15-12-18(10-11-19(15)24-21(27)22(2,3)4)23-20(26)17-9-7-8-16(13-17)14-25(5)6/h7-13H,14H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyPLDBXMIAOIWVFE-UHFFFAOYSA-N
XLogP4.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
CID 50956569
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831
tert-butyl N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]carbamate
CID 44817757
N-(4-acetamido-3-methylphenyl)-3-aminobenzamide
CID 43698803
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide (CID 131941645) is 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide is Cc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide?
The InChIKey is PLDBXMIAOIWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-12-18(10-11-19(15)24-21(27)22(2,3)4)23-20(26)17-9-7-8-16(13-17)14-25(5)6/h7-13H,14H2,1-6H3,(H,23,26)(H,24,27).
What are the key properties of 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide?
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 131941645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).