6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide

C15H24N2O3 — CID 60980339

IUPAC6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
SMILESCCOc1ccc(NC(=O)CCCCCN)cc1CO
InChIInChI=1S/C15H24N2O3/c1-2-20-14-8-7-13(10-12(14)11-18)17-15(19)6-4-3-5-9-16/h7-8,10,18H,2-6,9,11,16H2,1H3,(H,17,19)
InChIKeyMOQLWHOSNGFGRJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.04
Rot. Bonds9

About 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide

6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide (PubChem CID 60980339) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
PubChem CID60980339
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
SMILESCCOc1ccc(NC(=O)CCCCCN)cc1CO
InChIInChI=1S/C15H24N2O3/c1-2-20-14-8-7-13(10-12(14)11-18)17-15(19)6-4-3-5-9-16/h7-8,10,18H,2-6,9,11,16H2,1H3,(H,17,19)
InChIKeyMOQLWHOSNGFGRJ-UHFFFAOYSA-N
XLogP2.04
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.04
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

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide (CID 60980339) is 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide is CCOc1ccc(NC(=O)CCCCCN)cc1CO.
What is the InChIKey of 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide?
The InChIKey is MOQLWHOSNGFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-20-14-8-7-13(10-12(14)11-18)17-15(19)6-4-3-5-9-16/h7-8,10,18H,2-6,9,11,16H2,1H3,(H,17,19).
What are the key properties of 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide?
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide has a molecular weight of 280.37 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide is sourced from PubChem (CID 60980339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).