2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide

C20H26N2O — CID 46045368

IUPAC2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(CNc2ccc(CC(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)13-22-20(23)12-17-7-9-19(10-8-17)21-14-18-6-4-5-16(3)11-18/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyUCTOCQWKLRZUQQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.92
Rot. Bonds7

About 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide

2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide (PubChem CID 46045368) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
PubChem CID46045368
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(CNc2ccc(CC(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)13-22-20(23)12-17-7-9-19(10-8-17)21-14-18-6-4-5-16(3)11-18/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyUCTOCQWKLRZUQQ-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
CID 46045366
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide (CID 46045368) is 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide is Cc1cccc(CNc2ccc(CC(=O)NCC(C)C)cc2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide?
The InChIKey is UCTOCQWKLRZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)13-22-20(23)12-17-7-9-19(10-8-17)21-14-18-6-4-5-16(3)11-18/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide?
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 46045368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).