[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate

C19H30N2O3 — CID 4589541

IUPAC[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)OCC1(N(C)C)CCCCC1
InChIInChI=1S/C19H30N2O3/c1-4-14-23-17-11-7-6-10-16(17)20-18(22)24-15-19(21(2)3)12-8-5-9-13-19/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,20,22)
InChIKeyGVZQYYCGSKCYOI-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.29
Rot. Bonds7

About [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate

[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate (PubChem CID 4589541) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
PubChem CID4589541
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)OCC1(N(C)C)CCCCC1
InChIInChI=1S/C19H30N2O3/c1-4-14-23-17-11-7-6-10-16(17)20-18(22)24-15-19(21(2)3)12-8-5-9-13-19/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,20,22)
InChIKeyGVZQYYCGSKCYOI-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
CID 44724516
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
CID 64551079
2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
CID 3054187

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate?
The IUPAC name of [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate (CID 4589541) is [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate is CCCOc1ccccc1NC(=O)OCC1(N(C)C)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate?
The InChIKey is GVZQYYCGSKCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-14-23-17-11-7-6-10-16(17)20-18(22)24-15-19(21(2)3)12-8-5-9-13-19/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,20,22).
What are the key properties of [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate?
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate has a molecular weight of 334.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate is sourced from PubChem (CID 4589541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).