2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium

C19H29ClN3O3+ — CID 9252222

IUPAC2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O3/c1-14(18(24)22-19(25)21-16-6-4-3-5-7-16)23(2)12-13-26-17-10-8-15(20)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H2,21,22,24,25)/p+1/t14-/m0/s1
InChIKeyGLTNDLFWYIRHSI-AWEZNQCLSA-O
MW382.91 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium

2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9252222) has the molecular formula C19H29ClN3O3+ and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9252222
Molecular FormulaC19H29ClN3O3+
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC Name2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O3/c1-14(18(24)22-19(25)21-16-6-4-3-5-7-16)23(2)12-13-26-17-10-8-15(20)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H2,21,22,24,25)/p+1/t14-/m0/s1
InChIKeyGLTNDLFWYIRHSI-AWEZNQCLSA-O
XLogP1.78
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
2-(4-bromophenoxy)ethyl-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-methylazanium
CID 8842327
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium (CID 9252222) is 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium is C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is GLTNDLFWYIRHSI-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H28ClN3O3/c1-14(18(24)22-19(25)21-16-6-4-3-5-7-16)23(2)12-13-26-17-10-8-15(20)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H2,21,22,24,25)/p+1/t14-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium?
2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 382.91 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9252222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).