ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate

C16H24N2O3 — CID 78843297

IUPACethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-5-17-13-8-7-12(16(20)21-6-2)10-14(13)18-15(19)9-11(3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyUQYZJPAAKDILGC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.28
Rot. Bonds7

About ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate

ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate (PubChem CID 78843297) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
PubChem CID78843297
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-5-17-13-8-7-12(16(20)21-6-2)10-14(13)18-15(19)9-11(3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyUQYZJPAAKDILGC-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
CID 119672270
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672274
ethyl 3-(2-aminopentanoylamino)-4-(ethylamino)benzoate
CID 119262529
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
CID 71902522
3,4-bis(3-methylbutanoylamino)benzoic acid
CID 5099816
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
ethyl 4-amino-3-(2-methylpropylamino)benzoate
CID 82791348
ethyl 3-bromo-4-(3,3-dimethylbutanoylamino)benzoate
CID 43623852
ethyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 29246675
ethyl 4-(2-aminopropanoylamino)-3-bromobenzoate
CID 43703064
ethyl 4-cyano-3-(2-methylpropylamino)benzoate
CID 67405767

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate?
The IUPAC name of ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate (CID 78843297) is ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate.
What is the SMILES notation for ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate?
The canonical SMILES for ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate is CCNc1ccc(C(=O)OCC)cc1NC(=O)CC(C)C.
What is the InChIKey of ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate?
The InChIKey is UQYZJPAAKDILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-17-13-8-7-12(16(20)21-6-2)10-14(13)18-15(19)9-11(3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate?
ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate has a molecular weight of 292.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate is sourced from PubChem (CID 78843297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).