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

C16H25NO3 — CID 86913071

IUPACN,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-14-5-4-6-15(13-14)7-8-16(18)17(9-11-19-2)10-12-20-3/h4-6,13H,7-12H2,1-3H3
InChIKeyVSERDGGHTZREPA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds9

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

N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide (PubChem CID 86913071) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
PubChem CID86913071
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-14-5-4-6-15(13-14)7-8-16(18)17(9-11-19-2)10-12-20-3/h4-6,13H,7-12H2,1-3H3
InChIKeyVSERDGGHTZREPA-UHFFFAOYSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(3-methylphenyl)propanamide
CID 107490945
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide (CID 86913071) is N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide is COCCN(CCOC)C(=O)CCc1cccc(C)c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide?
The InChIKey is VSERDGGHTZREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-14-5-4-6-15(13-14)7-8-16(18)17(9-11-19-2)10-12-20-3/h4-6,13H,7-12H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide?
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 86913071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).