3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide

C15H22ClNO3 — CID 86913073

IUPAC3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-19-10-8-17(9-11-20-2)15(18)7-6-13-4-3-5-14(16)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeyZABOLTDGAKQAHI-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.39
Rot. Bonds9

About 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide

3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 86913073) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
PubChem CID86913073
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-19-10-8-17(9-11-20-2)15(18)7-6-13-4-3-5-14(16)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeyZABOLTDGAKQAHI-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 31236222
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(3-chlorophenyl)propanoate
CID 6946708
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide (CID 86913073) is 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is ZABOLTDGAKQAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-10-8-17(9-11-20-2)15(18)7-6-13-4-3-5-14(16)12-13/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide?
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 86913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).