[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate

C17H24N2O4 — CID 141499901

IUPAC[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)c1ccc(C(C)N2CCOCC2)cc1OC(=O)N(C)C
InChIInChI=1S/C17H24N2O4/c1-12(19-7-9-22-10-8-19)14-5-6-15(13(2)20)16(11-14)23-17(21)18(3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZFPAZSNUBPEADQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.34
Rot. Bonds4

About [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate

[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate (PubChem CID 141499901) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate
PubChem CID141499901
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)c1ccc(C(C)N2CCOCC2)cc1OC(=O)N(C)C
InChIInChI=1S/C17H24N2O4/c1-12(19-7-9-22-10-8-19)14-5-6-15(13(2)20)16(11-14)23-17(21)18(3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZFPAZSNUBPEADQ-UHFFFAOYSA-N
XLogP2.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1-morpholin-4-ylethyl)quinolin-8-yl] N-ethyl-N-methylcarbamate
CID 141363548
[2-(morpholine-4-carbonyl)phenyl] N,N-dimethylcarbamate
CID 122368109
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
N-[2-ethyl-4-[4-(1-morpholin-4-ylethyl)phenyl]phenyl]acetamide
CID 56707432
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 95152103
2-(2-acetyl-5-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 63067650
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
CID 122558845
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
CID 99835806
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897

Frequently Asked Questions

What is the IUPAC name of [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate (CID 141499901) is [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate is CC(=O)c1ccc(C(C)N2CCOCC2)cc1OC(=O)N(C)C.
What is the InChIKey of [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is ZFPAZSNUBPEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(19-7-9-22-10-8-19)14-5-6-15(13(2)20)16(11-14)23-17(21)18(3)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate?
[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 320.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 141499901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).