(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide

C23H29N3O2 — CID 95786051

IUPAC(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc23)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)23(4,15-24)25-22(27)17(3)26-12-20(13-26)28-14-19-10-7-9-18-8-5-6-11-21(18)19/h5-11,16-17,20H,12-14H2,1-4H3,(H,25,27)/t17-,23+/m1/s1
InChIKeyVUUWCSVLUNXROH-HXOBKFHXSA-N
MW379.50 g/mol
LogP3.48
Rot. Bonds7

About (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide (PubChem CID 95786051) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide
PubChem CID95786051
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc23)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)23(4,15-24)25-22(27)17(3)26-12-20(13-26)28-14-19-10-7-9-18-8-5-6-11-21(18)19/h5-11,16-17,20H,12-14H2,1-4H3,(H,25,27)/t17-,23+/m1/s1
InChIKeyVUUWCSVLUNXROH-HXOBKFHXSA-N
XLogP3.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
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N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 41016004
[(2R)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525628
5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile
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2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
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N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24534624
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25491438
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
cis-tert-butyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-methyl-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 59974155

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide (CID 95786051) is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc23)C1.
What is the InChIKey of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide?
The InChIKey is VUUWCSVLUNXROH-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)23(4,15-24)25-22(27)17(3)26-12-20(13-26)28-14-19-10-7-9-18-8-5-6-11-21(18)19/h5-11,16-17,20H,12-14H2,1-4H3,(H,25,27)/t17-,23+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide?
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]propanamide is sourced from PubChem (CID 95786051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).