3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide

C22H29N3O3 — CID 126465306

IUPAC3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CNCC(C)(C)C)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(26)24-19-11-16(13-23-14-22(2,3)4)10-17(12-19)21(27)25-18-6-8-20(28-5)9-7-18/h6-12,23H,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyBEKWOBZZLVATTQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.04
Rot. Bonds7

About 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide

3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 126465306) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID126465306
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CNCC(C)(C)C)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(26)24-19-11-16(13-23-14-22(2,3)4)10-17(12-19)21(27)25-18-6-8-20(28-5)9-7-18/h6-12,23H,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyBEKWOBZZLVATTQ-UHFFFAOYSA-N
XLogP4.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
CID 118759804
3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 42368292
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 11798169
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide (CID 126465306) is 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(CNCC(C)(C)C)cc(NC(C)=O)c2)cc1.
What is the InChIKey of 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is BEKWOBZZLVATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(26)24-19-11-16(13-23-14-22(2,3)4)10-17(12-19)21(27)25-18-6-8-20(28-5)9-7-18/h6-12,23H,13-14H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide?
3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 126465306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).