[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium

C19H29ClN3O2+ — CID 9036627

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H28ClN3O2/c1-13-8-4-6-10-16(13)22-19(25)14(2)23(3)12-18(24)21-17-11-7-5-9-15(17)20/h5,7,9,11,13-14,16H,4,6,8,10,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t13-,14-,16-/m1/s1
InChIKeyNZKBEBRSVVAIAJ-IIAWOOMASA-O
MW366.91 g/mol
LogP1.88
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium (PubChem CID 9036627) has the molecular formula C19H29ClN3O2+ and a molecular weight of 366.91 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
PubChem CID9036627
Molecular FormulaC19H29ClN3O2+
Molecular Weight366.91 g/mol
Exact Mass366.19
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H28ClN3O2/c1-13-8-4-6-10-16(13)22-19(25)14(2)23(3)12-18(24)21-17-11-7-5-9-15(17)20/h5,7,9,11,13-14,16H,4,6,8,10,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t13-,14-,16-/m1/s1
InChIKeyNZKBEBRSVVAIAJ-IIAWOOMASA-O
XLogP1.88
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium 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

methyl-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286383
methyl-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197570
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9252943
[2-(2-chloroanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9036594
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9434415
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
N-(2-chlorophenyl)-2-[4-[[(1R,2R)-2-methylcyclohexyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9214799
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8559716
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 11933678

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium (CID 9036627) is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The InChIKey is NZKBEBRSVVAIAJ-IIAWOOMASA-O. The full InChI is InChI=1S/C19H28ClN3O2/c1-13-8-4-6-10-16(13)22-19(25)14(2)23(3)12-18(24)21-17-11-7-5-9-15(17)20/h5,7,9,11,13-14,16H,4,6,8,10,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t13-,14-,16-/m1/s1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium has a molecular weight of 366.91 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9036627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).