N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide

C16H17NO2 — CID 111445480

IUPACN-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c18-15(17-11-16(19)8-3-9-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,19H,3,8-9,11H2,(H,17,18)
InChIKeyBJQKBECYKWSWAL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide

N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide (PubChem CID 111445480) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
PubChem CID111445480
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c18-15(17-11-16(19)8-3-9-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,19H,3,8-9,11H2,(H,17,18)
InChIKeyBJQKBECYKWSWAL-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 114758301
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide (CID 111445480) is N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide is O=C(NCC1(O)CCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide?
The InChIKey is BJQKBECYKWSWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(17-11-16(19)8-3-9-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,19H,3,8-9,11H2,(H,17,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 111445480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).