N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide

C21H25NO3 — CID 91798169

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H25NO3/c23-21(18-6-5-15-3-1-2-4-17(15)13-18)22-20-9-12-25-14-19(20)16-7-10-24-11-8-16/h1-6,13,16,19-20H,7-12,14H2,(H,22,23)/t19-,20-/m0/s1
InChIKeyBUWJXJIDUZGTNQ-PMACEKPBSA-N
MW339.43 g/mol
LogP3.40
Rot. Bonds3

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide (PubChem CID 91798169) has the molecular formula C21H25NO3 and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
PubChem CID91798169
Molecular FormulaC21H25NO3
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H25NO3/c23-21(18-6-5-15-3-1-2-4-17(15)13-18)22-20-9-12-25-14-19(20)16-7-10-24-11-8-16/h1-6,13,16,19-20H,7-12,14H2,(H,22,23)/t19-,20-/m0/s1
InChIKeyBUWJXJIDUZGTNQ-PMACEKPBSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 133265575
2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
CID 91776897
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
2-butoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91774099
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 133265741
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139
2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
CID 133265711

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide (CID 91798169) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide is O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide?
The InChIKey is BUWJXJIDUZGTNQ-PMACEKPBSA-N. The full InChI is InChI=1S/C21H25NO3/c23-21(18-6-5-15-3-1-2-4-17(15)13-18)22-20-9-12-25-14-19(20)16-7-10-24-11-8-16/h1-6,13,16,19-20H,7-12,14H2,(H,22,23)/t19-,20-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide has a molecular weight of 339.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 91798169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).