4-acetamido-3-(2-ethylbutanoylamino)benzoic acid

C15H20N2O4 — CID 1708

IUPAC4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
SMILESCCC(CC)C(=O)Nc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUSKXJFHTBQWXCS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.72
Rot. Bonds6

About 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid

4-acetamido-3-(2-ethylbutanoylamino)benzoic acid (PubChem CID 1708) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid.

Molecular Properties

Compound Name4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
PubChem CID1708
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
SMILESCCC(CC)C(=O)Nc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUSKXJFHTBQWXCS-UHFFFAOYSA-N
XLogP2.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

p-Acetamidobenzoic acid
CID 19266
N-Ethyl-3-nitro PABA
CID 3729086
Ferrostatin-1
CID 4068248
4-(Hexadecylamino)benzoic acid
CID 47263
Amsilarotene
CID 9800306
Bcx-140
CID 446323
3,4-Diaminobenzoic acid
CID 69263
3-Acetamidobenzoic acid
CID 48847
4-(Methylamino)benzoic acid
CID 66345
Ethyl 4-acetamido-3-nitrobenzoate
CID 2826598
Deanol Acetamidobenzoate
CID 19265
4-(Benzoylamino)benzoic acid
CID 252597

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid?
The IUPAC name of 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid (CID 1708) is 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid.
What is the SMILES notation for 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid?
The canonical SMILES for 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid is CCC(CC)C(=O)Nc1cc(C(=O)O)ccc1NC(C)=O.
What is the InChIKey of 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid?
The InChIKey is USKXJFHTBQWXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid?
4-acetamido-3-(2-ethylbutanoylamino)benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid is sourced from PubChem (CID 1708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).