N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide

C16H25NO3 — CID 17329435

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-6-12(7-2)16(18)17-11(3)13-8-9-14(19-4)15(10-13)20-5/h8-12H,6-7H2,1-5H3,(H,17,18)
InChIKeyAJQUGVYUSXEGIL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide (PubChem CID 17329435) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
PubChem CID17329435
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-6-12(7-2)16(18)17-11(3)13-8-9-14(19-4)15(10-13)20-5/h8-12H,6-7H2,1-5H3,(H,17,18)
InChIKeyAJQUGVYUSXEGIL-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
CID 79805617

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide (CID 17329435) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The InChIKey is AJQUGVYUSXEGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-12(7-2)16(18)17-11(3)13-8-9-14(19-4)15(10-13)20-5/h8-12H,6-7H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 17329435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).