[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate

C13H18N2O4 — CID 62325038

IUPAC[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate
SMILESCCNC(=O)CCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H18N2O4/c1-3-15-12(16)6-7-19-13(17)10-8-9(18-2)4-5-11(10)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyLCYNFVRGNULNBF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.96
Rot. Bonds6

About [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate

[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate (PubChem CID 62325038) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Name[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate
PubChem CID62325038
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate
SMILESCCNC(=O)CCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H18N2O4/c1-3-15-12(16)6-7-19-13(17)10-8-9(18-2)4-5-11(10)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyLCYNFVRGNULNBF-UHFFFAOYSA-N
XLogP0.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.96
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

[3-(ethylamino)-3-oxopropyl] 2-amino-5-fluorobenzoate
CID 62325208
propyl 2-amino-5-methoxybenzoate
CID 60837149
methyl 2-amino-5-methoxybenzoate
CID 13052275
3-methylsulfanylpropyl 2-amino-5-methoxybenzoate
CID 113344029
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
[3-(ethylamino)-3-oxopropyl] 2-amino-3-methylbenzoate
CID 62325192
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-amino-5-methoxybenzoate
CID 61489345
[3-(ethylamino)-3-oxopropyl] 5-amino-2,3-dichlorobenzoate
CID 107199189
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
ethyl 2-amino-5-(4-methoxy-4-oxobutoxy)benzoate
CID 63997339
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate?
The IUPAC name of [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate (CID 62325038) is [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate.
What is the SMILES notation for [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate?
The canonical SMILES for [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate is CCNC(=O)CCOC(=O)c1cc(OC)ccc1N.
What is the InChIKey of [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate?
The InChIKey is LCYNFVRGNULNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15-12(16)6-7-19-13(17)10-8-9(18-2)4-5-11(10)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate?
[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate has a molecular weight of 266.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate is sourced from PubChem (CID 62325038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).