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

C14H22ClN3O3 — CID 119672270

IUPACethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CNC.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-4-16-11-7-6-10(14(19)20-5-2)8-12(11)17-13(18)9-15-3;/h6-8,15-16H,4-5,9H2,1-3H3,(H,17,18);1H
InChIKeyPOKBZUSNOSRBEH-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.87
Rot. Bonds7

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

ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride (PubChem CID 119672270) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
PubChem CID119672270
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Nameethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CNC.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-4-16-11-7-6-10(14(19)20-5-2)8-12(11)17-13(18)9-15-3;/h6-8,15-16H,4-5,9H2,1-3H3,(H,17,18);1H
InChIKeyPOKBZUSNOSRBEH-UHFFFAOYSA-N
XLogP1.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672274
ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
CID 78843297
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258
ethyl 3-(2-aminopentanoylamino)-4-(ethylamino)benzoate
CID 119262529
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
CID 71902522
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
ethyl 3-bromo-4-(3,3-dimethylbutanoylamino)benzoate
CID 43623852
ethyl 4-amino-3-(methylamino)benzoate
CID 67332734
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride?
The IUPAC name of ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride (CID 119672270) is ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride is CCNc1ccc(C(=O)OCC)cc1NC(=O)CNC.Cl.
What is the InChIKey of ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride?
The InChIKey is POKBZUSNOSRBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-4-16-11-7-6-10(14(19)20-5-2)8-12(11)17-13(18)9-15-3;/h6-8,15-16H,4-5,9H2,1-3H3,(H,17,18);1H.
What are the key properties of ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride?
ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride is sourced from PubChem (CID 119672270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).