4-methoxy-3-pentoxybenzamide

C13H19NO3 — CID 82041442

IUPAC4-methoxy-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C13H19NO3/c1-3-4-5-8-17-12-9-10(13(14)15)6-7-11(12)16-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyGTPHORVBHLXKTL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds7

About 4-methoxy-3-pentoxybenzamide

4-methoxy-3-pentoxybenzamide (PubChem CID 82041442) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methoxy-3-pentoxybenzamide.

Molecular Properties

Compound Name4-methoxy-3-pentoxybenzamide
PubChem CID82041442
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-methoxy-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C13H19NO3/c1-3-4-5-8-17-12-9-10(13(14)15)6-7-11(12)16-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyGTPHORVBHLXKTL-UHFFFAOYSA-N
XLogP2.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-methoxybenzamide
CID 47102628
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
3-chloro-4-dodecoxybenzamide
CID 172740881
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
3-amino-4-butoxybenzamide
CID 43448596
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
CID 143212762
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
3,4-di(tridecoxy)benzoic acid
CID 66940296

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-pentoxybenzamide?
The IUPAC name of 4-methoxy-3-pentoxybenzamide (CID 82041442) is 4-methoxy-3-pentoxybenzamide.
What is the SMILES notation for 4-methoxy-3-pentoxybenzamide?
The canonical SMILES for 4-methoxy-3-pentoxybenzamide is CCCCCOc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-pentoxybenzamide?
The InChIKey is GTPHORVBHLXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-5-8-17-12-9-10(13(14)15)6-7-11(12)16-2/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 4-methoxy-3-pentoxybenzamide?
4-methoxy-3-pentoxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-pentoxybenzamide is sourced from PubChem (CID 82041442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).