ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride

C19H24ClN3O3 — CID 119672258

IUPACethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-3-21-16-10-7-14(19(24)25-4-2)12-17(16)22-18(23)11-13-5-8-15(20)9-6-13;/h5-10,12,21H,3-4,11,20H2,1-2H3,(H,22,23);1H
InChIKeyJDLSDXXUGRWUGB-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.48
Rot. Bonds7

About ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride

ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride (PubChem CID 119672258) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
PubChem CID119672258
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nameethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-3-21-16-10-7-14(19(24)25-4-2)12-17(16)22-18(23)11-13-5-8-15(20)9-6-13;/h5-10,12,21H,3-4,11,20H2,1-2H3,(H,22,23);1H
InChIKeyJDLSDXXUGRWUGB-UHFFFAOYSA-N
XLogP3.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
CID 119672270
ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
CID 78843297
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672274
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
ethyl 3-(2-aminopentanoylamino)-4-(ethylamino)benzoate
CID 119262529
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
CID 71902522
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 4-aminobenzoate
CID 2337
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
CID 100608391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The IUPAC name of ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride (CID 119672258) is ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The canonical SMILES for ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride is CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The InChIKey is JDLSDXXUGRWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-3-21-16-10-7-14(19(24)25-4-2)12-17(16)22-18(23)11-13-5-8-15(20)9-6-13;/h5-10,12,21H,3-4,11,20H2,1-2H3,(H,22,23);1H.
What are the key properties of ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride is sourced from PubChem (CID 119672258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).