2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide

C13H26N2O2 — CID 65118871

IUPAC2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
SMILESCCC1CCC(O)(CNC(C)C(=O)NC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11-5-7-13(17,8-6-11)9-15-10(2)12(16)14-3/h10-11,15,17H,4-9H2,1-3H3,(H,14,16)
InChIKeyXVSXPRSCKCEXFK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds5

About 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide

2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide (PubChem CID 65118871) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
PubChem CID65118871
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
SMILESCCC1CCC(O)(CNC(C)C(=O)NC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11-5-7-13(17,8-6-11)9-15-10(2)12(16)14-3/h10-11,15,17H,4-9H2,1-3H3,(H,14,16)
InChIKeyXVSXPRSCKCEXFK-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
methyl 2-cyclopropyl-2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]acetate
CID 103253418
methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
CID 65118877
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
CID 65120855
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
CID 65116446
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide (CID 65118871) is 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide is CCC1CCC(O)(CNC(C)C(=O)NC)CC1.
What is the InChIKey of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide?
The InChIKey is XVSXPRSCKCEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11-5-7-13(17,8-6-11)9-15-10(2)12(16)14-3/h10-11,15,17H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide?
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 65118871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).