2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate

C22H26N6O3 — CID 2945826

IUPAC2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
SMILESCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
InChIInChI=1S/C22H26N6O3/c1-16(29)27(2)22(12-5-6-13-22)20-24-25-26-28(20)14-15-31-21(30)23-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,23,30)
InChIKeyHPZLJYPJGDXFRY-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.32
Rot. Bonds6

About 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate

2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate (PubChem CID 2945826) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
PubChem CID2945826
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
SMILESCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
InChIInChI=1S/C22H26N6O3/c1-16(29)27(2)22(12-5-6-13-22)20-24-25-26-28(20)14-15-31-21(30)23-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,23,30)
InChIKeyHPZLJYPJGDXFRY-UHFFFAOYSA-N
XLogP3.32
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(S)-[4-(dimethylamino)phenyl]-morpholin-4-ium-4-ylmethyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
CID 6990936
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate
CID 588584
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
1-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
CID 3155089
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate
CID 4568499
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate (CID 2945826) is 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate is CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1.
What is the InChIKey of 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The InChIKey is HPZLJYPJGDXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-16(29)27(2)22(12-5-6-13-22)20-24-25-26-28(20)14-15-31-21(30)23-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,23,30).
What are the key properties of 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate has a molecular weight of 422.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 2945826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).