[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H31N4O5+ — CID 9049982

IUPAC[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1OCC
InChIInChI=1S/C19H30N4O5/c1-6-27-15-9-8-14(10-16(15)28-7-2)21-19(26)22-18(25)12-23(5)11-17(24)20-13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24)(H2,21,22,25,26)/p+1
InChIKeyIEBYCWOXLKRMDO-UHFFFAOYSA-O
MW395.48 g/mol
LogP0.17
Rot. Bonds10

About [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049982) has the molecular formula C19H31N4O5+ and a molecular weight of 395.48 g/mol. Its IUPAC name is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049982
Molecular FormulaC19H31N4O5+
Molecular Weight395.48 g/mol
Exact Mass395.23
IUPAC Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCOc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1OCC
InChIInChI=1S/C19H30N4O5/c1-6-27-15-9-8-14(10-16(15)28-7-2)21-19(26)22-18(25)12-23(5)11-17(24)20-13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24)(H2,21,22,25,26)/p+1
InChIKeyIEBYCWOXLKRMDO-UHFFFAOYSA-O
XLogP0.17
TPSA110.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-(2-methylprop-2-enyl)azanium
CID 8818719
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 7991330
[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8767414
2-chloroprop-2-enyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8818865
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494492
[2-(azocan-1-yl)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8819024
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9223018
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049982) is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCOc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1OCC.
What is the InChIKey of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IEBYCWOXLKRMDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O5/c1-6-27-15-9-8-14(10-16(15)28-7-2)21-19(26)22-18(25)12-23(5)11-17(24)20-13(3)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24)(H2,21,22,25,26)/p+1.
What are the key properties of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 395.48 g/mol, XLogP of 0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).