N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide

C30H30N2O — CID 5153157

IUPACN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide
SMILESCc1ccc(CNC(=O)C(NCc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O/c1-23-13-17-25(18-14-23)21-31-29(33)30(27-9-5-3-6-10-27,28-11-7-4-8-12-28)32-22-26-19-15-24(2)16-20-26/h3-20,32H,21-22H2,1-2H3,(H,31,33)
InChIKeyIPTKNMJTCMVFCO-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.65
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide (PubChem CID 5153157) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide
PubChem CID5153157
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide
SMILESCc1ccc(CNC(=O)C(NCc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O/c1-23-13-17-25(18-14-23)21-31-29(33)30(27-9-5-3-6-10-27,28-11-7-4-8-12-28)32-22-26-19-15-24(2)16-20-26/h3-20,32H,21-22H2,1-2H3,(H,31,33)
InChIKeyIPTKNMJTCMVFCO-UHFFFAOYSA-N
XLogP5.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
CID 175102525
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
CID 103731962
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 79796775
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzylacetamide;toluene
CID 175498463
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide (CID 5153157) is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide is Cc1ccc(CNC(=O)C(NCc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide?
The InChIKey is IPTKNMJTCMVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-23-13-17-25(18-14-23)21-31-29(33)30(27-9-5-3-6-10-27,28-11-7-4-8-12-28)32-22-26-19-15-24(2)16-20-26/h3-20,32H,21-22H2,1-2H3,(H,31,33).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide?
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide has a molecular weight of 434.58 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide is sourced from PubChem (CID 5153157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).