propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate

C27H29N3O4 — CID 54812803

IUPACpropyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-3-18-34-27(33)21-12-14-22(15-13-21)28-19-25(31)29-23-16-10-20(11-17-23)26(32)30(4-2)24-8-6-5-7-9-24/h5-17,28H,3-4,18-19H2,1-2H3,(H,29,31)
InChIKeyVYSIUALXFVUAGA-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.97
Rot. Bonds10

About propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate

propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate (PubChem CID 54812803) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
PubChem CID54812803
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Namepropyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-3-18-34-27(33)21-12-14-22(15-13-21)28-19-25(31)29-23-16-10-20(11-17-23)26(32)30(4-2)24-8-6-5-7-9-24/h5-17,28H,3-4,18-19H2,1-2H3,(H,29,31)
InChIKeyVYSIUALXFVUAGA-UHFFFAOYSA-N
XLogP4.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate (CID 54812803) is propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate is CCCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1.
What is the InChIKey of propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is VYSIUALXFVUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-3-18-34-27(33)21-12-14-22(15-13-21)28-19-25(31)29-23-16-10-20(11-17-23)26(32)30(4-2)24-8-6-5-7-9-24/h5-17,28H,3-4,18-19H2,1-2H3,(H,29,31).
What are the key properties of propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate?
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate has a molecular weight of 459.55 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54812803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).