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

C20H29NO2 — CID 70679637

IUPAC(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate
SMILESCCCC1CCC2(CC1)CCC2OC(=O)Nc1ccccc1C
InChIInChI=1S/C20H29NO2/c1-3-6-16-9-12-20(13-10-16)14-11-18(20)23-19(22)21-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3,(H,21,22)
InChIKeyORKZSGNHORDBJM-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.68
Rot. Bonds4

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

(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate (PubChem CID 70679637) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate
PubChem CID70679637
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate
SMILESCCCC1CCC2(CC1)CCC2OC(=O)Nc1ccccc1C
InChIInChI=1S/C20H29NO2/c1-3-6-16-9-12-20(13-10-16)14-11-18(20)23-19(22)21-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3,(H,21,22)
InChIKeyORKZSGNHORDBJM-UHFFFAOYSA-N
XLogP5.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate?
The IUPAC name of (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate (CID 70679637) is (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate.
What is the SMILES notation for (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate?
The canonical SMILES for (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate is CCCC1CCC2(CC1)CCC2OC(=O)Nc1ccccc1C.
What is the InChIKey of (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate?
The InChIKey is ORKZSGNHORDBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-6-16-9-12-20(13-10-16)14-11-18(20)23-19(22)21-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3,(H,21,22).
What are the key properties of (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate?
(7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate has a molecular weight of 315.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propylspiro[3.5]nonan-3-yl) N-(2-methylphenyl)carbamate is sourced from PubChem (CID 70679637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).