2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide

C25H35NO3 — CID 133217502

IUPAC2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1
InChIInChI=1S/C25H35NO3/c1-8-19-10-12-20(13-11-19)29-23(9-2)25(27)26-18(6)22-15-21(16(3)4)24(28-7)14-17(22)5/h10-16,18,23H,8-9H2,1-7H3,(H,26,27)
InChIKeyWXXDSKZJAYEJKF-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.72
Rot. Bonds9

About 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide

2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 133217502) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
PubChem CID133217502
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1
InChIInChI=1S/C25H35NO3/c1-8-19-10-12-20(13-11-19)29-23(9-2)25(27)26-18(6)22-15-21(16(3)4)24(28-7)14-17(22)5/h10-16,18,23H,8-9H2,1-7H3,(H,26,27)
InChIKeyWXXDSKZJAYEJKF-UHFFFAOYSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 133220360
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217428
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 125085735

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide (CID 133217502) is 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide is CCc1ccc(OC(CC)C(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is WXXDSKZJAYEJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-8-19-10-12-20(13-11-19)29-23(9-2)25(27)26-18(6)22-15-21(16(3)4)24(28-7)14-17(22)5/h10-16,18,23H,8-9H2,1-7H3,(H,26,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide?
2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 397.56 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 133217502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).