N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide

C37H34N2O3 — CID 67652368

IUPACN-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
SMILESCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34N2O3/c1-39(26-28-22-24-33(25-23-28)42-27-29-14-6-2-7-15-29)37(41)35(32-20-12-5-13-21-32)38-36(40)34(30-16-8-3-9-17-30)31-18-10-4-11-19-31/h2-25,34-35H,26-27H2,1H3,(H,38,40)
InChIKeyQMFPXUGTVLLLED-UHFFFAOYSA-N
MW554.69 g/mol
LogP6.91
Rot. Bonds11

About N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide

N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide (PubChem CID 67652368) has the molecular formula C37H34N2O3 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
PubChem CID67652368
Molecular FormulaC37H34N2O3
Molecular Weight554.69 g/mol
Exact Mass554.26
IUPAC NameN-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
SMILESCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34N2O3/c1-39(26-28-22-24-33(25-23-28)42-27-29-14-6-2-7-15-29)37(41)35(32-20-12-5-13-21-32)38-36(40)34(30-16-8-3-9-17-30)31-18-10-4-11-19-31/h2-25,34-35H,26-27H2,1H3,(H,38,40)
InChIKeyQMFPXUGTVLLLED-UHFFFAOYSA-N
XLogP6.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride
CID 53439137
N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 67571562
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide
CID 138115557
tert-butyl N-[(4R)-4-amino-5-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-5-oxopentyl]carbamate
CID 15338902
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide (CID 67652368) is N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide is CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is QMFPXUGTVLLLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O3/c1-39(26-28-22-24-33(25-23-28)42-27-29-14-6-2-7-15-29)37(41)35(32-20-12-5-13-21-32)38-36(40)34(30-16-8-3-9-17-30)31-18-10-4-11-19-31/h2-25,34-35H,26-27H2,1H3,(H,38,40).
What are the key properties of N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 554.69 g/mol, XLogP of 6.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 67652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).