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

C29H36N2O — CID 174963232

IUPACN-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccccc3N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C29H36N2O/c1-21(2)19-31(20-22(3)4)28-12-7-6-11-27(28)25-9-8-10-26(18-25)30-29(32)17-24-15-13-23(5)14-16-24/h6-16,18,21-22H,17,19-20H2,1-5H3,(H,30,32)
InChIKeyHWMUWXXYJXWLOY-UHFFFAOYSA-N
MW428.62 g/mol
LogP6.96
Rot. Bonds9

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

N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 174963232) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide
PubChem CID174963232
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC NameN-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccccc3N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C29H36N2O/c1-21(2)19-31(20-22(3)4)28-12-7-6-11-27(28)25-9-8-10-26(18-25)30-29(32)17-24-15-13-23(5)14-16-24/h6-16,18,21-22H,17,19-20H2,1-5H3,(H,30,32)
InChIKeyHWMUWXXYJXWLOY-UHFFFAOYSA-N
XLogP6.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
(2S)-2-methoxy-N-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]propanamide
CID 129369597
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide
CID 146310815
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
2-[4-[3-methylpentan-3-yl(2-methylpropyl)amino]-3-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzoic acid
CID 142383536
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
2-[1-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropyl]acetic acid
CID 158975465
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
1-[2-[bis(2-methylpropyl)amino]-5-(2-formyl-3-methylphenyl)phenyl]-3-(4-methylphenyl)urea
CID 144800454
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
4-fluoro-2-[3-[[2-(4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(prop-2-ynyl)amino]phenyl]benzoic acid
CID 161057927

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide (CID 174963232) is N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cccc(-c3ccccc3N(CC(C)C)CC(C)C)c2)cc1.
What is the InChIKey of N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is HWMUWXXYJXWLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-21(2)19-31(20-22(3)4)28-12-7-6-11-27(28)25-9-8-10-26(18-25)30-29(32)17-24-15-13-23(5)14-16-24/h6-16,18,21-22H,17,19-20H2,1-5H3,(H,30,32).
What are the key properties of N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide?
N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 428.62 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 174963232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).