ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride

C18H21ClN2O4 — CID 24838474

IUPACethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)c1cc(N)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H20N2O4.ClH/c1-2-23-17(21)11-20-18(22)15-10-14(19)8-9-16(15)24-12-13-6-4-3-5-7-13;/h3-10H,2,11-12,19H2,1H3,(H,20,22);1H
InChIKeyZAIDYRWUTBWNHT-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.56
Rot. Bonds7

About ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride

ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride (PubChem CID 24838474) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride
PubChem CID24838474
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Nameethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)c1cc(N)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H20N2O4.ClH/c1-2-23-17(21)11-20-18(22)15-10-14(19)8-9-16(15)24-12-13-6-4-3-5-7-13;/h3-10H,2,11-12,19H2,1H3,(H,20,22);1H
InChIKeyZAIDYRWUTBWNHT-UHFFFAOYSA-N
XLogP2.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
CID 163659293
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
ethyl 2-[[6-methyl-7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene-4-carbonyl]amino]acetate
CID 90855648
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
ethyl 2-[[7-[3-[(4-fluorophenyl)methyl]-4-phenylmethoxyphenoxy]-6-methyl-2,3-dihydro-1H-indene-4-carbonyl]amino]acetate
CID 90944825
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride (CID 24838474) is ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride is CCOC(=O)CNC(=O)c1cc(N)ccc1OCc1ccccc1.Cl.
What is the InChIKey of ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride?
The InChIKey is ZAIDYRWUTBWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.ClH/c1-2-23-17(21)11-20-18(22)15-10-14(19)8-9-16(15)24-12-13-6-4-3-5-7-13;/h3-10H,2,11-12,19H2,1H3,(H,20,22);1H.
What are the key properties of ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride?
ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride is sourced from PubChem (CID 24838474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).