[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

C20H28N3O3+ — CID 8925434

IUPAC[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCCCCNC(=O)NC(=O)C[NH+](C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H27N3O3/c1-4-5-10-21-20(25)22-19(24)14-23(2)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H2,21,22,24,25)/p+1
InChIKeyQSDLXFSWEPYMEB-UHFFFAOYSA-O
MW358.46 g/mol
LogP1.49
Rot. Bonds8

About [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (PubChem CID 8925434) has the molecular formula C20H28N3O3+ and a molecular weight of 358.46 g/mol. Its IUPAC name is [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
PubChem CID8925434
Molecular FormulaC20H28N3O3+
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCCCCNC(=O)NC(=O)C[NH+](C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H27N3O3/c1-4-5-10-21-20(25)22-19(24)14-23(2)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H2,21,22,24,25)/p+1
InChIKeyQSDLXFSWEPYMEB-UHFFFAOYSA-O
XLogP1.49
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8925396
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9053986
[2-[3-(tert-butylazaniumyl)propylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793384
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
CID 8793440
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054318
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9261274
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (CID 8925434) is [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The canonical SMILES for [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is CCCCNC(=O)NC(=O)C[NH+](C)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The InChIKey is QSDLXFSWEPYMEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O3/c1-4-5-10-21-20(25)22-19(24)14-23(2)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H2,21,22,24,25)/p+1.
What are the key properties of [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium has a molecular weight of 358.46 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 8925434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).