N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide

C16H23NO3 — CID 166676905

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)15(18)8-9-16(19)17-11-10-13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyJITBLEITPLGHRW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide (PubChem CID 166676905) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
PubChem CID166676905
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-12(2)15(18)8-9-16(19)17-11-10-13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyJITBLEITPLGHRW-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide (CID 166676905) is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide is COc1ccc(CCNC(=O)CCC(=O)C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide?
The InChIKey is JITBLEITPLGHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)15(18)8-9-16(19)17-11-10-13-4-6-14(20-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide?
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide has a molecular weight of 277.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide is sourced from PubChem (CID 166676905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).