N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide

C17H27NO3 — CID 27453

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IUPACN-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide
SMILESCCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)
InChIKeyLMBMDLOSPKIWAP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.64
Rot. Bonds9

About N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide

N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide (PubChem CID 27453) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide
PubChem CID27453
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide
SMILESCCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)
InChIKeyLMBMDLOSPKIWAP-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-6-ylmethyl)-methoxymethyl-amine
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N-[2-(3-methoxyphenyl)ethyl]acetamide
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N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 10584457
N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 10704222
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
CID 10002429
(5Z,8Z,11Z,14Z,17Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14,17-pentaenamide
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CID 46885230

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide?
The IUPAC name of N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide (CID 27453) is N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide is CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1.
What is the InChIKey of N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide?
The InChIKey is LMBMDLOSPKIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide?
N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide is sourced from PubChem (CID 27453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).