[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate

C15H22N2O4 — CID 61321110

IUPAC[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
SMILESCCN(CC)C(=O)C(C)OC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H22N2O4/c1-5-17(6-2)14(18)10(3)21-15(19)12-9-11(20-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3
InChIKeyCOQOOMYXDTVDHJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.69
Rot. Bonds6

About [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate

[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate (PubChem CID 61321110) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Name[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
PubChem CID61321110
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
SMILESCCN(CC)C(=O)C(C)OC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H22N2O4/c1-5-17(6-2)14(18)10(3)21-15(19)12-9-11(20-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3
InChIKeyCOQOOMYXDTVDHJ-UHFFFAOYSA-N
XLogP1.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
CID 61320723
2-(2-amino-5-methoxybenzoyl)oxybutanoic acid
CID 64663412
methyl 2-amino-5-methoxybenzoate
CID 13052275
propyl 2-amino-5-methoxybenzoate
CID 60837149
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
[1-(diethylamino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 60720897
2-amino-5-methoxybenzamide;ethane
CID 142071126
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
[1-(dimethylamino)-1-oxopropan-2-yl] 2-amino-5-methylbenzoate
CID 60768575
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate?
The IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate (CID 61321110) is [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate.
What is the SMILES notation for [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate?
The canonical SMILES for [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate is CCN(CC)C(=O)C(C)OC(=O)c1cc(OC)ccc1N.
What is the InChIKey of [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate?
The InChIKey is COQOOMYXDTVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-17(6-2)14(18)10(3)21-15(19)12-9-11(20-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3.
What are the key properties of [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate?
[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate is sourced from PubChem (CID 61321110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).