2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide

C14H28N2O2 — CID 114147705

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC1CCCC(O)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-16-14(18)11(3)15-9-12-5-4-6-13(17)7-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyMYZOZSJRNCMOOR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds6

About 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide

2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 114147705) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID114147705
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC1CCCC(O)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-16-14(18)11(3)15-9-12-5-4-6-13(17)7-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyMYZOZSJRNCMOOR-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
CID 106132783
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954
N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 114147359
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide (CID 114147705) is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCC1CCCC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is MYZOZSJRNCMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-16-14(18)11(3)15-9-12-5-4-6-13(17)7-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114147705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).