3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

C13H25NO3 — CID 65123625

IUPAC3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO3/c1-3-17-8-6-12(15)14-10-13(16)7-4-5-11(2)9-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyFOBVPXZZZIAWRV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds6

About 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (PubChem CID 65123625) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
PubChem CID65123625
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO3/c1-3-17-8-6-12(15)14-10-13(16)7-4-5-11(2)9-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyFOBVPXZZZIAWRV-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
1-[(3-ethoxypropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310360
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124105
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
3-methyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567780

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (CID 65123625) is 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is CCOCCC(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The InChIKey is FOBVPXZZZIAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-8-6-12(15)14-10-13(16)7-4-5-11(2)9-13/h11,16H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65123625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).