[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate

C20H32N2O3 — CID 23620550

IUPAC[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)O[C@H]2CCCC[C@@H]2N(CC)CC)cc1
InChIInChI=1S/C20H32N2O3/c1-4-15-24-17-13-11-16(12-14-17)21-20(23)25-19-10-8-7-9-18(19)22(5-2)6-3/h11-14,18-19H,4-10,15H2,1-3H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyJBIJXZRYWZNZRB-OALUTQOASA-N
MW348.49 g/mol
LogP4.68
Rot. Bonds8

About [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate

[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate (PubChem CID 23620550) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate
PubChem CID23620550
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)O[C@H]2CCCC[C@@H]2N(CC)CC)cc1
InChIInChI=1S/C20H32N2O3/c1-4-15-24-17-13-11-16(12-14-17)21-20(23)25-19-10-8-7-9-18(19)22(5-2)6-3/h11-14,18-19H,4-10,15H2,1-3H3,(H,21,23)/t18-,19-/m0/s1
InChIKeyJBIJXZRYWZNZRB-OALUTQOASA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate
CID 10338704
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-hexoxyphenyl)carbamate chloride
CID 78169012
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
[(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 138399374
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
CID 124624773
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate?
The IUPAC name of [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate (CID 23620550) is [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate.
What is the SMILES notation for [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate?
The canonical SMILES for [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate is CCCOc1ccc(NC(=O)O[C@H]2CCCC[C@@H]2N(CC)CC)cc1.
What is the InChIKey of [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate?
The InChIKey is JBIJXZRYWZNZRB-OALUTQOASA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-15-24-17-13-11-16(12-14-17)21-20(23)25-19-10-8-7-9-18(19)22(5-2)6-3/h11-14,18-19H,4-10,15H2,1-3H3,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate?
[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate has a molecular weight of 348.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate is sourced from PubChem (CID 23620550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).