N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

C14H27NO3 — CID 107180334

IUPACN-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H27NO3/c1-14(2)8-6-5-7-12(14)13(17)15(3)9-11(16)10-18-4/h11-12,16H,5-10H2,1-4H3
InChIKeyNZGNPTHTSJDBSG-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.67
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (PubChem CID 107180334) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
PubChem CID107180334
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H27NO3/c1-14(2)8-6-5-7-12(14)13(17)15(3)9-11(16)10-18-4/h11-12,16H,5-10H2,1-4H3
InChIKeyNZGNPTHTSJDBSG-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
CID 62213191
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (CID 107180334) is N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is COCC(O)CN(C)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The InChIKey is NZGNPTHTSJDBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2)8-6-5-7-12(14)13(17)15(3)9-11(16)10-18-4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide has a molecular weight of 257.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).