N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide

C15H20N2O — CID 115158822

IUPACN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCC2)C1CNC1
InChIInChI=1S/C15H20N2O/c18-15(14-9-16-10-14)17-8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,14,16H,1-4,8-10H2,(H,17,18)
InChIKeyJIXGIMAXSHGBGP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.40
Rot. Bonds3

About N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide

N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 115158822) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
PubChem CID115158822
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCC2)C1CNC1
InChIInChI=1S/C15H20N2O/c18-15(14-9-16-10-14)17-8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,14,16H,1-4,8-10H2,(H,17,18)
InChIKeyJIXGIMAXSHGBGP-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
CID 56852887
N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide (CID 115158822) is N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide is O=C(NCc1ccc2c(c1)CCCC2)C1CNC1.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is JIXGIMAXSHGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(14-9-16-10-14)17-8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,14,16H,1-4,8-10H2,(H,17,18).
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide?
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 115158822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).