[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium

C14H21N2O2+ — CID 8909591

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccccc1C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-14(17)15-12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)/p+1
InChIKeyAKKDQOOJYHRPPG-UHFFFAOYSA-O
MW249.33 g/mol
LogP-0.01
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium (PubChem CID 8909591) has the molecular formula C14H21N2O2+ and a molecular weight of 249.33 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
PubChem CID8909591
Molecular FormulaC14H21N2O2+
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccccc1C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-14(17)15-12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)/p+1
InChIKeyAKKDQOOJYHRPPG-UHFFFAOYSA-O
XLogP-0.01
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8909346
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium (CID 8909591) is [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium is COc1ccccc1C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium?
The InChIKey is AKKDQOOJYHRPPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-14(17)15-12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium has a molecular weight of 249.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8909591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).