N-[(4-phenylmorpholin-2-yl)methyl]acetamide

C13H18N2O2 — CID 70790066

IUPACN-[(4-phenylmorpholin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccccc2)CCO1
InChIInChI=1S/C13H18N2O2/c1-11(16)14-9-13-10-15(7-8-17-13)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16)
InChIKeyNQUHAYAXJREYJL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.03
Rot. Bonds3

About N-[(4-phenylmorpholin-2-yl)methyl]acetamide

N-[(4-phenylmorpholin-2-yl)methyl]acetamide (PubChem CID 70790066) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(4-phenylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-phenylmorpholin-2-yl)methyl]acetamide
PubChem CID70790066
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(4-phenylmorpholin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccccc2)CCO1
InChIInChI=1S/C13H18N2O2/c1-11(16)14-9-13-10-15(7-8-17-13)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16)
InChIKeyNQUHAYAXJREYJL-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-phenyl-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]acetamide
CID 69280674
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
2-(3-fluorophenyl)-N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 110710034
1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea
CID 110746999
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97149838
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
2-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709826

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-phenylmorpholin-2-yl)methyl]acetamide (CID 70790066) is N-[(4-phenylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-phenylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-phenylmorpholin-2-yl)methyl]acetamide is CC(=O)NCC1CN(c2ccccc2)CCO1.
What is the InChIKey of N-[(4-phenylmorpholin-2-yl)methyl]acetamide?
The InChIKey is NQUHAYAXJREYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(16)14-9-13-10-15(7-8-17-13)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16).
What are the key properties of N-[(4-phenylmorpholin-2-yl)methyl]acetamide?
N-[(4-phenylmorpholin-2-yl)methyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 70790066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).