N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide

C13H19NO3 — CID 79191557

IUPACN-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
SMILESCCOc1cccc(CNC(=O)CCCO)c1
InChIInChI=1S/C13H19NO3/c1-2-17-12-6-3-5-11(9-12)10-14-13(16)7-4-8-15/h3,5-6,9,15H,2,4,7-8,10H2,1H3,(H,14,16)
InChIKeyCZEAGGQGONSDIS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide

N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide (PubChem CID 79191557) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
PubChem CID79191557
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
SMILESCCOc1cccc(CNC(=O)CCCO)c1
InChIInChI=1S/C13H19NO3/c1-2-17-12-6-3-5-11(9-12)10-14-13(16)7-4-8-15/h3,5-6,9,15H,2,4,7-8,10H2,1H3,(H,14,16)
InChIKeyCZEAGGQGONSDIS-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
CID 166187909
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112685361
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide (CID 79191557) is N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide is CCOc1cccc(CNC(=O)CCCO)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide?
The InChIKey is CZEAGGQGONSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-17-12-6-3-5-11(9-12)10-14-13(16)7-4-8-15/h3,5-6,9,15H,2,4,7-8,10H2,1H3,(H,14,16).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide?
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide is sourced from PubChem (CID 79191557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).