2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide

C16H32N2O2 — CID 62552678

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H32N2O2/c1-5-14(6-2)17-15(20)13(4)18-16(11-19)9-7-12(3)8-10-16/h12-14,18-19H,5-11H2,1-4H3,(H,17,20)
InChIKeyVKVDJSXBVKMDET-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.21
Rot. Bonds7

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide (PubChem CID 62552678) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide
PubChem CID62552678
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H32N2O2/c1-5-14(6-2)17-15(20)13(4)18-16(11-19)9-7-12(3)8-10-16/h12-14,18-19H,5-11H2,1-4H3,(H,17,20)
InChIKeyVKVDJSXBVKMDET-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide (CID 62552678) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1(CO)CCC(C)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide?
The InChIKey is VKVDJSXBVKMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-14(6-2)17-15(20)13(4)18-16(11-19)9-7-12(3)8-10-16/h12-14,18-19H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62552678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).