N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H25NO2 — CID 107127092

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1CO)C1CCc2ccccc2C1
InChIInChI=1S/C18H25NO2/c20-12-17-7-3-6-16(17)11-19-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-2,4-5,15-17,20H,3,6-12H2,(H,19,21)
InChIKeyOLEQJSGBSCARCQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.32
Rot. Bonds4

About N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127092) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127092
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1CO)C1CCc2ccccc2C1
InChIInChI=1S/C18H25NO2/c20-12-17-7-3-6-16(17)11-19-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-2,4-5,15-17,20H,3,6-12H2,(H,19,21)
InChIKeyOLEQJSGBSCARCQ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-3-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 166630816
N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166634360
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide
CID 166635919
4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354311
3-{[(2-Phenylethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6468911
trans-N-benzyl-2-(1-hydroxy-3-phenylpropyl)cyclopentanecarboxamide
CID 44408979
N-(2-methylpropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 46932987
(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-(2-phenylethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 164609823
3-[(2-Phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 6468735

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127092) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCC1CCCC1CO)C1CCc2ccccc2C1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OLEQJSGBSCARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-12-17-7-3-6-16(17)11-19-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-2,4-5,15-17,20H,3,6-12H2,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).