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

C13H25NO2 — CID 65124264

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCCC1CCC(O)(CNC(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-4-11-5-7-13(16,8-6-11)9-14-12(15)10(2)3/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyVGTQTDUANRCDFV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds4

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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 65124264) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID65124264
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCCC1CCC(O)(CNC(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-4-11-5-7-13(16,8-6-11)9-14-12(15)10(2)3/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyVGTQTDUANRCDFV-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
6-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylhexanamide
CID 65119052

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 65124264) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide is CCC1CCC(O)(CNC(=O)C(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is VGTQTDUANRCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11-5-7-13(16,8-6-11)9-14-12(15)10(2)3/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 65124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).