N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide

C18H21NO3 — CID 21419374

IUPACN-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-21-18(22-2)17(20)19-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16,18H,13H2,1-2H3,(H,19,20)
InChIKeyQPFNPVVCUVUVQC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.71
Rot. Bonds7

About N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide

N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide (PubChem CID 21419374) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
PubChem CID21419374
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-21-18(22-2)17(20)19-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16,18H,13H2,1-2H3,(H,19,20)
InChIKeyQPFNPVVCUVUVQC-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1,2-diphenylethylurea
CID 2853470
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
CID 95786472
N-(1,2-diphenylethyl)pentanamide
CID 134014505
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide (CID 21419374) is N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide is COC(OC)C(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide?
The InChIKey is QPFNPVVCUVUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-18(22-2)17(20)19-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16,18H,13H2,1-2H3,(H,19,20).
What are the key properties of N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide?
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide is sourced from PubChem (CID 21419374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).