N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide

C19H27NO3 — CID 43916356

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27NO3/c1-3-18(23-17-11-7-10-16(14-17)22-2)19(21)20-13-12-15-8-5-4-6-9-15/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3,(H,20,21)
InChIKeyBXDVZJYFFDMJFA-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.86
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 43916356) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID43916356
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27NO3/c1-3-18(23-17-11-7-10-16(14-17)22-2)19(21)20-13-12-15-8-5-4-6-9-15/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3,(H,20,21)
InChIKeyBXDVZJYFFDMJFA-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 28566521
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
(2R)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674990
(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674991
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110407479
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
CID 92676242

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide (CID 43916356) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is BXDVZJYFFDMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-18(23-17-11-7-10-16(14-17)22-2)19(21)20-13-12-15-8-5-4-6-9-15/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 317.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 43916356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).