propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate

C18H28N2O3 — CID 54812724

IUPACpropyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)N(CCC)CCC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-11-20(12-5-2)17(21)14-19-16-9-7-15(8-10-16)18(22)23-13-6-3/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyKYAKVLWGFUXHEN-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.31
Rot. Bonds10

About propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate

propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate (PubChem CID 54812724) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate
PubChem CID54812724
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namepropyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)N(CCC)CCC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-11-20(12-5-2)17(21)14-19-16-9-7-15(8-10-16)18(22)23-13-6-3/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyKYAKVLWGFUXHEN-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
propyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]benzoate
CID 54812870
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
propyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81414678
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108500129
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate (CID 54812724) is propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate is CCCOC(=O)c1ccc(NCC(=O)N(CCC)CCC)cc1.
What is the InChIKey of propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is KYAKVLWGFUXHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-11-20(12-5-2)17(21)14-19-16-9-7-15(8-10-16)18(22)23-13-6-3/h7-10,19H,4-6,11-14H2,1-3H3.
What are the key properties of propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate?
propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 320.43 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54812724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).