N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide

C16H17NO2 — CID 126856656

IUPACN-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)C1CCC1O
InChIInChI=1S/C16H17NO2/c1-17(14-9-10-15(14)18)16(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15,18H,9-10H2,1H3
InChIKeyDEDGSYXLCCPTNW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.44
Rot. Bonds2

About N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide

N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide (PubChem CID 126856656) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide
PubChem CID126856656
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)C1CCC1O
InChIInChI=1S/C16H17NO2/c1-17(14-9-10-15(14)18)16(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15,18H,9-10H2,1H3
InChIKeyDEDGSYXLCCPTNW-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide
CID 134706743
N,N-dimethylchrysene-1-carboxamide
CID 140682617
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
CID 56977411
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2-(difluoromethoxy)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102634779
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide (CID 126856656) is N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide is CN(C(=O)c1cccc2ccccc12)C1CCC1O.
What is the InChIKey of N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide?
The InChIKey is DEDGSYXLCCPTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(14-9-10-15(14)18)16(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15,18H,9-10H2,1H3.
What are the key properties of N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide?
N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 126856656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).