2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide

C14H28N2O2 — CID 65120338

IUPAC2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
SMILESCCC1CCC(O)(CNC(=O)C(N)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-11-5-7-14(18,8-6-11)9-16-13(17)12(15)10(2)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyGXSCKCPYFBRIBV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide (PubChem CID 65120338) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
PubChem CID65120338
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
SMILESCCC1CCC(O)(CNC(=O)C(N)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-11-5-7-14(18,8-6-11)9-16-13(17)12(15)10(2)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyGXSCKCPYFBRIBV-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
6-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylhexanamide
CID 65119052
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide (CID 65120338) is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide is CCC1CCC(O)(CNC(=O)C(N)C(C)C)CC1.
What is the InChIKey of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The InChIKey is GXSCKCPYFBRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-11-5-7-14(18,8-6-11)9-16-13(17)12(15)10(2)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65120338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).