[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium

C23H29N4O4+ — CID 9053171

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-3-31-20-12-10-19(11-13-20)26-23(30)16-4-6-17(7-5-16)24-21(28)14-27(2)15-22(29)25-18-8-9-18/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/p+1
InChIKeySWENIDHFTJTZFC-UHFFFAOYSA-O
MW425.51 g/mol
LogP1.07
Rot. Bonds10

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium (PubChem CID 9053171) has the molecular formula C23H29N4O4+ and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
PubChem CID9053171
Molecular FormulaC23H29N4O4+
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-3-31-20-12-10-19(11-13-20)26-23(30)16-4-6-17(7-5-16)24-21(28)14-27(2)15-22(29)25-18-8-9-18/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/p+1
InChIKeySWENIDHFTJTZFC-UHFFFAOYSA-O
XLogP1.07
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 9053579
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2420633
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium (CID 9053171) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium is CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+](C)CC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The InChIKey is SWENIDHFTJTZFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4O4/c1-3-31-20-12-10-19(11-13-20)26-23(30)16-4-6-17(7-5-16)24-21(28)14-27(2)15-22(29)25-18-8-9-18/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium has a molecular weight of 425.51 g/mol, XLogP of 1.07, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).