[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate

C20H29NO3 — CID 156602687

IUPAC[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
SMILESCCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H29NO3/c1-3-6-15-9-12-20(13-10-15)14-11-18(20)24-19(22)21-16-7-4-5-8-17(16)23-2/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,21,22)/t15?,18-,20?/m1/s1
InChIKeyFRMKJUZWSMSVBG-RVSXGSNBSA-N
MW331.46 g/mol
LogP5.38
Rot. Bonds5

About [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate

[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate (PubChem CID 156602687) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
PubChem CID156602687
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
SMILESCCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H29NO3/c1-3-6-15-9-12-20(13-10-15)14-11-18(20)24-19(22)21-16-7-4-5-8-17(16)23-2/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,21,22)/t15?,18-,20?/m1/s1
InChIKeyFRMKJUZWSMSVBG-RVSXGSNBSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate
CID 70679637
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
(2-methylcyclohexyl) N-(2-methoxyphenyl)carbamate
CID 3641247
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
CID 79465855
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
O-(7-propylspiro[3.5]nonan-3-yl) N-(4-bromophenyl)carbamothioate
CID 70679575
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
[(1R,5R)-3,3,5-trimethylcyclohexyl] N-(2-methoxyphenyl)carbamate
CID 142739719
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate?
The IUPAC name of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate (CID 156602687) is [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate?
The canonical SMILES for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate is CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccccc1OC.
What is the InChIKey of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate?
The InChIKey is FRMKJUZWSMSVBG-RVSXGSNBSA-N. The full InChI is InChI=1S/C20H29NO3/c1-3-6-15-9-12-20(13-10-15)14-11-18(20)24-19(22)21-16-7-4-5-8-17(16)23-2/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,21,22)/t15?,18-,20?/m1/s1.
What are the key properties of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate?
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate has a molecular weight of 331.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 156602687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).