N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide

C19H23NO2 — CID 111695707

IUPACN-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
SMILESCC(O)CCN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(21)13-14-20(2)19(22)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3
InChIKeyJUEIDAVFUWGQFO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide

N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide (PubChem CID 111695707) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
PubChem CID111695707
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
SMILESCC(O)CCN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(21)13-14-20(2)19(22)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3
InChIKeyJUEIDAVFUWGQFO-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 109379794
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide (CID 111695707) is N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide is CC(O)CCN(C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide?
The InChIKey is JUEIDAVFUWGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(21)13-14-20(2)19(22)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide?
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 111695707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).