N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

C17H22Cl2N2O3 — CID 53245045

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O3/c1-4-21-10-17(2,3)24-16(23)14(21)8-15(22)20-9-11-5-6-12(18)13(19)7-11/h5-7,14H,4,8-10H2,1-3H3,(H,20,22)
InChIKeyNTZYLCNXIYFDAE-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.03
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (PubChem CID 53245045) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
PubChem CID53245045
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O3/c1-4-21-10-17(2,3)24-16(23)14(21)8-15(22)20-9-11-5-6-12(18)13(19)7-11/h5-7,14H,4,8-10H2,1-3H3,(H,20,22)
InChIKeyNTZYLCNXIYFDAE-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxo-2-piperazinyl]acetate
CID 3840506
N-(4-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244723
N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244782
N-(3-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245044
N-(2-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245105
4-Morpholineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039075
2-{4-[(3,4-Dichloro-benzyl)-methyl-carbamoyl]-3-hydroxy-2-oxo-2,5-dihydro-pyrrol-1-yl}-succinamic acid
CID 54691760
methyl N-{[1-(4-chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]acetyl}-N-methylglycinate
CID 45204913
(2R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methylbutanoyl)piperazine-2-carboxamide
CID 44535847
2-(4-acetamidopiperidin-1-yl)-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 10238544
tert-Butyl 1-(3,4-dichlorobenzyl)-4-piperidinylcarbamate
CID 11175795
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 14882014

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (CID 53245045) is N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The InChIKey is NTZYLCNXIYFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-4-21-10-17(2,3)24-16(23)14(21)8-15(22)20-9-11-5-6-12(18)13(19)7-11/h5-7,14H,4,8-10H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide has a molecular weight of 373.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is sourced from PubChem (CID 53245045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).