3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide

C11H22N2O3 — CID 106135074

IUPAC3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H22N2O3/c1-16-10(6-12)11(15)13-7-8-3-2-4-9(14)5-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyYPZUQCMBYGAISU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds5

About 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide

3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide (PubChem CID 106135074) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
PubChem CID106135074
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H22N2O3/c1-16-10(6-12)11(15)13-7-8-3-2-4-9(14)5-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyYPZUQCMBYGAISU-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
3-amino-N-(cyclobutylmethyl)-2-hydroxypropanamide
CID 115180610
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide (CID 106135074) is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide is COC(CN)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide?
The InChIKey is YPZUQCMBYGAISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-16-10(6-12)11(15)13-7-8-3-2-4-9(14)5-8/h8-10,14H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide?
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106135074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).