[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

C19H30N3O4+ — CID 8583890

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-22(11-10-14-8-9-16(25-2)17(12-14)26-3)13-18(23)21-19(24)20-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H2,20,21,23,24)/p+1
InChIKeyZAFSHTWDAUBJJG-UHFFFAOYSA-O
MW364.47 g/mol
LogP0.53
Rot. Bonds8

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (PubChem CID 8583890) has the molecular formula C19H30N3O4+ and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
PubChem CID8583890
Molecular FormulaC19H30N3O4+
Molecular Weight364.47 g/mol
Exact Mass364.22
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-22(11-10-14-8-9-16(25-2)17(12-14)26-3)13-18(23)21-19(24)20-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H2,20,21,23,24)/p+1
InChIKeyZAFSHTWDAUBJJG-UHFFFAOYSA-O
XLogP0.53
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 9058327
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8583864
2-(3,4-dimethoxyphenyl)ethyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8682128
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583964
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8583994
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (CID 8583890) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is COc1ccc(CC[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The InChIKey is ZAFSHTWDAUBJJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O4/c1-22(11-10-14-8-9-16(25-2)17(12-14)26-3)13-18(23)21-19(24)20-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H2,20,21,23,24)/p+1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium has a molecular weight of 364.47 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is sourced from PubChem (CID 8583890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).