N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

C13H18ClNO3 — CID 12624915

IUPACN-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1ccc(Cl)cc1)C(C)=O)OC
InChIInChI=1S/C13H18ClNO3/c1-10(16)15(9-13(17-2)18-3)8-11-4-6-12(14)7-5-11/h4-7,13H,8-9H2,1-3H3
InChIKeyRYOCQXKGYIMHOK-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.31
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 12624915) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
PubChem CID12624915
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1ccc(Cl)cc1)C(C)=O)OC
InChIInChI=1S/C13H18ClNO3/c1-10(16)15(9-13(17-2)18-3)8-11-4-6-12(14)7-5-11/h4-7,13H,8-9H2,1-3H3
InChIKeyRYOCQXKGYIMHOK-UHFFFAOYSA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
JOH-UNI-0e1753c1-1
CID 156906478
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 45793902
N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
CID 122135630
((3-Chlorophenyl)methyl)(2,2-dimethoxyethyl)amine
CID 60657354
N-(2,2-dimethoxyethyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 12624914
N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624916
N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624917
2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137839
2-chloro-N-(2,2-dimethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 15137851
Methyl 2-[3-[(4-chlorophenyl)methyl-methylamino]propanoyl-methylamino]acetate
CID 53621657
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)pent-2-enamide
CID 76323268

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (CID 12624915) is N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is COC(CN(Cc1ccc(Cl)cc1)C(C)=O)OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is RYOCQXKGYIMHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(16)15(9-13(17-2)18-3)8-11-4-6-12(14)7-5-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 12624915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).