[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

C19H30N3O4+ — CID 8905371

IUPAC[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCCCc1ccc(NC(=O)C[NH+](CC)CC(=O)NC(=O)OCC)cc1
InChIInChI=1S/C19H29N3O4/c1-4-7-8-15-9-11-16(12-10-15)20-17(23)13-22(5-2)14-18(24)21-19(25)26-6-3/h9-12H,4-8,13-14H2,1-3H3,(H,20,23)(H,21,24,25)/p+1
InChIKeyJGZZGNXMFDWJBW-UHFFFAOYSA-O
MW364.47 g/mol
LogP1.15
Rot. Bonds10

About [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8905371) has the molecular formula C19H30N3O4+ and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
PubChem CID8905371
Molecular FormulaC19H30N3O4+
Molecular Weight364.47 g/mol
Exact Mass364.22
IUPAC Name[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCCCc1ccc(NC(=O)C[NH+](CC)CC(=O)NC(=O)OCC)cc1
InChIInChI=1S/C19H29N3O4/c1-4-7-8-15-9-11-16(12-10-15)20-17(23)13-22(5-2)14-18(24)21-19(25)26-6-3/h9-12H,4-8,13-14H2,1-3H3,(H,20,23)(H,21,24,25)/p+1
InChIKeyJGZZGNXMFDWJBW-UHFFFAOYSA-O
XLogP1.15
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8905153
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8799716
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8904864
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8905347
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8905305
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[(4-butylphenyl)carbamothioyl]propanamide
CID 4281226
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium
CID 9038677
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (CID 8905371) is [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is CCCCc1ccc(NC(=O)C[NH+](CC)CC(=O)NC(=O)OCC)cc1.
What is the InChIKey of [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is JGZZGNXMFDWJBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O4/c1-4-7-8-15-9-11-16(12-10-15)20-17(23)13-22(5-2)14-18(24)21-19(25)26-6-3/h9-12H,4-8,13-14H2,1-3H3,(H,20,23)(H,21,24,25)/p+1.
What are the key properties of [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 364.47 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8905371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).