N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide

C14H21NO4 — CID 79191202

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCCCO)cc1CO
InChIInChI=1S/C14H21NO4/c1-2-19-13-7-6-12(9-11(13)10-17)15-14(18)5-3-4-8-16/h6-7,9,16-17H,2-5,8,10H2,1H3,(H,15,18)
InChIKeyCAETWYGCZWILAP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.68
Rot. Bonds8

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide (PubChem CID 79191202) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
PubChem CID79191202
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCCCO)cc1CO
InChIInChI=1S/C14H21NO4/c1-2-19-13-7-6-12(9-11(13)10-17)15-14(18)5-3-4-8-16/h6-7,9,16-17H,2-5,8,10H2,1H3,(H,15,18)
InChIKeyCAETWYGCZWILAP-UHFFFAOYSA-N
XLogP1.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide (CID 79191202) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide is CCOc1ccc(NC(=O)CCCCO)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide?
The InChIKey is CAETWYGCZWILAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-19-13-7-6-12(9-11(13)10-17)15-14(18)5-3-4-8-16/h6-7,9,16-17H,2-5,8,10H2,1H3,(H,15,18).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide has a molecular weight of 267.32 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide is sourced from PubChem (CID 79191202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).