3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide

C21H26N2O2 — CID 974090

IUPAC3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-3-17(4-2)21(25)23-19-12-8-11-18(15-19)20(24)22-14-13-16-9-6-5-7-10-16/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySYRIROCEPDCRLA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds8

About 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide

3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 974090) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide
PubChem CID974090
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-3-17(4-2)21(25)23-19-12-8-11-18(15-19)20(24)22-14-13-16-9-6-5-7-10-16/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySYRIROCEPDCRLA-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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RG-2833
CID 56654642
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CID 68497
4-amino-N-benzylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide (CID 974090) is 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is SYRIROCEPDCRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17(4-2)21(25)23-19-12-8-11-18(15-19)20(24)22-14-13-16-9-6-5-7-10-16/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide?
3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 974090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).