N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C17H25NO4 — CID 108795981

IUPACN-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCOCCCNC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO4/c1-4-22-11-5-10-18-17(20)9-7-15(19)14-12-13(2)6-8-16(14)21-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20)
InChIKeyCSTYMKHGEKVYMY-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.51
Rot. Bonds10

About N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 108795981) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID108795981
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCOCCCNC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO4/c1-4-22-11-5-10-18-17(20)9-7-15(19)14-12-13(2)6-8-16(14)21-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20)
InChIKeyCSTYMKHGEKVYMY-UHFFFAOYSA-N
XLogP2.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796041
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18128266
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108834031
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 108795981) is N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is CCOCCCNC(=O)CCC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is CSTYMKHGEKVYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-22-11-5-10-18-17(20)9-7-15(19)14-12-13(2)6-8-16(14)21-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 307.39 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108795981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).