4-methoxy-N-pentanoylbenzamide

C13H17NO3 — CID 175364766

IUPAC4-methoxy-N-pentanoylbenzamide
SMILESCCCCC(=O)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3/c1-3-4-5-12(15)14-13(16)10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyRSHIRQFHYQEHSW-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.14
Rot. Bonds5

About 4-methoxy-N-pentanoylbenzamide

4-methoxy-N-pentanoylbenzamide (PubChem CID 175364766) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-methoxy-N-pentanoylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-pentanoylbenzamide
PubChem CID175364766
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-methoxy-N-pentanoylbenzamide
SMILESCCCCC(=O)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3/c1-3-4-5-12(15)14-13(16)10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyRSHIRQFHYQEHSW-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
3-methoxy-N-octadecanoylbenzamide
CID 142668969
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
4-methoxy-N-pentylbenzamide
CID 3113360
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentanoylbenzamide?
The IUPAC name of 4-methoxy-N-pentanoylbenzamide (CID 175364766) is 4-methoxy-N-pentanoylbenzamide.
What is the SMILES notation for 4-methoxy-N-pentanoylbenzamide?
The canonical SMILES for 4-methoxy-N-pentanoylbenzamide is CCCCC(=O)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-pentanoylbenzamide?
The InChIKey is RSHIRQFHYQEHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-4-5-12(15)14-13(16)10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-N-pentanoylbenzamide?
4-methoxy-N-pentanoylbenzamide has a molecular weight of 235.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentanoylbenzamide is sourced from PubChem (CID 175364766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).