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

C16H21NO2 — CID 107127121

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C16H21NO2/c18-11-16(7-8-16)10-17-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14,18H,5-11H2,(H,17,19)
InChIKeyPUNLIGDZUAGQFK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.68
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127121) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127121
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C16H21NO2/c18-11-16(7-8-16)10-17-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14,18H,5-11H2,(H,17,19)
InChIKeyPUNLIGDZUAGQFK-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127754
N-[[1-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127832
N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 154578163
N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127311
(3R)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115454960
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81433506
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127092
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127121) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCC1(CO)CC1)C1CCc2ccccc2C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PUNLIGDZUAGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-11-16(7-8-16)10-17-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14,18H,5-11H2,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).