N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H27NO2 — CID 103761209

IUPACN-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H27NO2/c1-3-9(4-2)12(18)8-17-16(19)15-13-10-5-6-11(7-10)14(13)15/h9-15,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyHVJNQCHAOGMHRX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.19
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103761209) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103761209
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H27NO2/c1-3-9(4-2)12(18)8-17-16(19)15-13-10-5-6-11(7-10)14(13)15/h9-15,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyHVJNQCHAOGMHRX-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103829374
N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103807170
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106284398
N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 105343021
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
4-ethyl-N-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595
N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119404440
(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 124840850
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103761209) is N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CCC(CC)C(O)CNC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is HVJNQCHAOGMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-9(4-2)12(18)8-17-16(19)15-13-10-5-6-11(7-10)14(13)15/h9-15,18H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103761209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).