2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide

C13H26N2O3 — CID 106135403

IUPAC2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O3/c1-18-8-2-3-12(14)13(17)15-9-10-4-6-11(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyGFSNGSOASDEAHC-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds7

About 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide

2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide (PubChem CID 106135403) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
PubChem CID106135403
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O3/c1-18-8-2-3-12(14)13(17)15-9-10-4-6-11(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyGFSNGSOASDEAHC-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
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

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 81102695
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide (CID 106135403) is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The InChIKey is GFSNGSOASDEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-8-2-3-12(14)13(17)15-9-10-4-6-11(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 106135403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).