N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide

C15H21NO2 — CID 110752415

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyKKBNQOIKOMBTON-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide

N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide (PubChem CID 110752415) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
PubChem CID110752415
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyKKBNQOIKOMBTON-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
CID 91914999
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide (CID 110752415) is N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide is CN(CC1CCOCC1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide?
The InChIKey is KKBNQOIKOMBTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide?
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 110752415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).