[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium

C16H24N3O4+ — CID 9058327

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NC(=O)NC2CC2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-19(10-15(20)18-16(21)17-12-5-6-12)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyFYFBNDILOKHICH-UHFFFAOYSA-O
MW322.39 g/mol
LogP-0.29
Rot. Bonds7

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 9058327) has the molecular formula C16H24N3O4+ and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
PubChem CID9058327
Molecular FormulaC16H24N3O4+
Molecular Weight322.39 g/mol
Exact Mass322.18
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NC(=O)NC2CC2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-19(10-15(20)18-16(21)17-12-5-6-12)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyFYFBNDILOKHICH-UHFFFAOYSA-O
XLogP-0.29
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583890
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909074
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494492
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
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
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium (CID 9058327) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)NC(=O)NC2CC2)cc1OC.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is FYFBNDILOKHICH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O4/c1-19(10-15(20)18-16(21)17-12-5-6-12)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18,20,21)/p+1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 322.39 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9058327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).