2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide

C12H24N2O2 — CID 106133332

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-7-14-12(16)9-13-8-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyQTLQYRGCIBLWCQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide

2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide (PubChem CID 106133332) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
PubChem CID106133332
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-7-14-12(16)9-13-8-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyQTLQYRGCIBLWCQ-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433
2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
CID 119896212
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412540
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741253
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide (CID 106133332) is 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide?
The InChIKey is QTLQYRGCIBLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-7-14-12(16)9-13-8-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 106133332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).