2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide

C16H24N2O2 — CID 53409102

IUPAC2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
SMILESCN(CC1CCOCC1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-7-9-20-10-8-14)16(19)15(17)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyZNYJZDOGZXANPS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide

2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide (PubChem CID 53409102) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
PubChem CID53409102
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
SMILESCN(CC1CCOCC1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-7-9-20-10-8-14)16(19)15(17)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyZNYJZDOGZXANPS-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843
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
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 76951643
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-(oxolan-3-ylmethyl)propanamide;dihydrochloride
CID 119814556
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide (CID 53409102) is 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide is CN(CC1CCOCC1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide?
The InChIKey is ZNYJZDOGZXANPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-14-7-9-20-10-8-14)16(19)15(17)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide?
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 53409102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).