tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate

C21H26N2O3 — CID 163236397

IUPACtert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
SMILESCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)22-19(24)16-12-23(13-16)20(25)26-21(2,3)4/h5-11,14,16H,12-13H2,1-4H3,(H,22,24)
InChIKeyGXIVUDIZTLRLTH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.88
Rot. Bonds3

About tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate

tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate (PubChem CID 163236397) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
PubChem CID163236397
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nametert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
SMILESCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)22-19(24)16-12-23(13-16)20(25)26-21(2,3)4/h5-11,14,16H,12-13H2,1-4H3,(H,22,24)
InChIKeyGXIVUDIZTLRLTH-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
tert-butyl 4-[4-methyl-3-(1-naphthalen-1-ylethylcarbamoyl)anilino]piperidine-1-carboxylate
CID 164866070
1-(2-methoxyphenyl)-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 24624530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate (CID 163236397) is tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate is CC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)c1cccc2ccccc12.
What is the InChIKey of tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is GXIVUDIZTLRLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)22-19(24)16-12-23(13-16)20(25)26-21(2,3)4/h5-11,14,16H,12-13H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate?
tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 163236397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).