N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide

C15H22ClNO2 — CID 113468244

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
SMILESCOCCN(CCCl)C(=O)CCc1ccccc1C
InChIInChI=1S/C15H22ClNO2/c1-13-5-3-4-6-14(13)7-8-15(18)17(10-9-16)11-12-19-2/h3-6H,7-12H2,1-2H3
InChIKeyXOSCEWMISPWLIM-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.64
Rot. Bonds8

About N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide (PubChem CID 113468244) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
PubChem CID113468244
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
SMILESCOCCN(CCCl)C(=O)CCc1ccccc1C
InChIInChI=1S/C15H22ClNO2/c1-13-5-3-4-6-14(13)7-8-15(18)17(10-9-16)11-12-19-2/h3-6H,7-12H2,1-2H3
InChIKeyXOSCEWMISPWLIM-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
N-(2-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610634
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide (CID 113468244) is N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide is COCCN(CCCl)C(=O)CCc1ccccc1C.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The InChIKey is XOSCEWMISPWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-13-5-3-4-6-14(13)7-8-15(18)17(10-9-16)11-12-19-2/h3-6H,7-12H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide has a molecular weight of 283.80 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 113468244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).