N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide

C16H17NO3 — CID 103848682

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c18-15(17-10-16(19)7-8-20-11-16)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,19H,7-8,10-11H2,(H,17,18)
InChIKeyBJZBBWOEURZJIV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.72
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide (PubChem CID 103848682) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
PubChem CID103848682
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c18-15(17-10-16(19)7-8-20-11-16)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,19H,7-8,10-11H2,(H,17,18)
InChIKeyBJZBBWOEURZJIV-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide
CID 103848874
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103849205

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide (CID 103848682) is N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide is O=C(NCC1(O)CCOC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is BJZBBWOEURZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(17-10-16(19)7-8-20-11-16)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,19H,7-8,10-11H2,(H,17,18).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 103848682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).