[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

C16H25ClN3O2+ — CID 8683368

IUPAC[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-4-18-15(21)11-20(5-2)12-16(22)19(3)10-13-7-6-8-14(17)9-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1
InChIKeyHTHVGMHVXYCDMW-UHFFFAOYSA-O
MW326.85 g/mol
LogP0.34
Rot. Bonds8

About [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (PubChem CID 8683368) has the molecular formula C16H25ClN3O2+ and a molecular weight of 326.85 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
PubChem CID8683368
Molecular FormulaC16H25ClN3O2+
Molecular Weight326.85 g/mol
Exact Mass326.16
IUPAC Name[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-4-18-15(21)11-20(5-2)12-16(22)19(3)10-13-7-6-8-14(17)9-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1
InChIKeyHTHVGMHVXYCDMW-UHFFFAOYSA-O
XLogP0.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
2-[[[(3-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305994
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093
4-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302188
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
3-[[[(3-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111305542

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (CID 8683368) is [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The InChIKey is HTHVGMHVXYCDMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-18-15(21)11-20(5-2)12-16(22)19(3)10-13-7-6-8-14(17)9-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/p+1.
What are the key properties of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium has a molecular weight of 326.85 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8683368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).