propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate

C21H26N2O4 — CID 54812726

IUPACpropyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-12-26-19-7-5-6-18(14-19)23-20(24)15-22-17-10-8-16(9-11-17)21(25)27-13-4-2/h5-11,14,22H,3-4,12-13,15H2,1-2H3,(H,23,24)
InChIKeyKDCMVUOXNACHAV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.09
Rot. Bonds10

About propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate

propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate (PubChem CID 54812726) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
PubChem CID54812726
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namepropyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-12-26-19-7-5-6-18(14-19)23-20(24)15-22-17-10-8-16(9-11-17)21(25)27-13-4-2/h5-11,14,22H,3-4,12-13,15H2,1-2H3,(H,23,24)
InChIKeyKDCMVUOXNACHAV-UHFFFAOYSA-N
XLogP4.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54827051
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate (CID 54812726) is propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate is CCCOC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1.
What is the InChIKey of propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate?
The InChIKey is KDCMVUOXNACHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-12-26-19-7-5-6-18(14-19)23-20(24)15-22-17-10-8-16(9-11-17)21(25)27-13-4-2/h5-11,14,22H,3-4,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate?
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate has a molecular weight of 370.45 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate is sourced from PubChem (CID 54812726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).