(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium

C15H23ClN3O2+ — CID 8542263

IUPAC(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
SMILESCCCNC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-3-8-17-14(20)9-18-15(21)11-19(2)10-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyGVCASPFBOWMNCT-UHFFFAOYSA-O
MW312.82 g/mol
LogP-0.00
Rot. Bonds8

About (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium

(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium (PubChem CID 8542263) has the molecular formula C15H23ClN3O2+ and a molecular weight of 312.82 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
PubChem CID8542263
Molecular FormulaC15H23ClN3O2+
Molecular Weight312.82 g/mol
Exact Mass312.15
IUPAC Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
SMILESCCCNC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-3-8-17-14(20)9-18-15(21)11-19(2)10-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyGVCASPFBOWMNCT-UHFFFAOYSA-O
XLogP-0.00
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8843903
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111175574
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302794
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8801322
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium (CID 8542263) is (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium is CCCNC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
The InChIKey is GVCASPFBOWMNCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-8-17-14(20)9-18-15(21)11-19(2)10-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium?
(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium has a molecular weight of 312.82 g/mol, XLogP of -0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium is sourced from PubChem (CID 8542263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).