4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide

C16H22N2O3 — CID 2952359

IUPAC4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyKVOIKXQTEJKPAY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds6

About 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide

4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2952359) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2952359
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyKVOIKXQTEJKPAY-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 2952359) is 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide is CCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KVOIKXQTEJKPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2952359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).