ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate

C20H25N3O3 — CID 2322493

IUPACethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-5-21-17-11-10-15(20(25)26-6-2)13-18(17)22-19(24)14-8-7-9-16(12-14)23(3)4/h7-13,21H,5-6H2,1-4H3,(H,22,24)
InChIKeyGMKOMPGNYPKNRA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.61
Rot. Bonds7

About ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate

ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate (PubChem CID 2322493) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate
PubChem CID2322493
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-5-21-17-11-10-15(20(25)26-6-2)13-18(17)22-19(24)14-8-7-9-16(12-14)23(3)4/h7-13,21H,5-6H2,1-4H3,(H,22,24)
InChIKeyGMKOMPGNYPKNRA-UHFFFAOYSA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate?
The IUPAC name of ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate (CID 2322493) is ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate.
What is the SMILES notation for ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate?
The canonical SMILES for ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate is CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate?
The InChIKey is GMKOMPGNYPKNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-21-17-11-10-15(20(25)26-6-2)13-18(17)22-19(24)14-8-7-9-16(12-14)23(3)4/h7-13,21H,5-6H2,1-4H3,(H,22,24).
What are the key properties of ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate?
ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(dimethylamino)benzoyl]amino]-4-(ethylamino)benzoate is sourced from PubChem (CID 2322493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).