2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide

C14H21NO4 — CID 110763222

IUPAC2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H21NO4/c1-10-8-13(19-4)11(9-12(10)18-3)14(16)15-6-5-7-17-2/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJLXAYCNQGBOGKH-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.78
Rot. Bonds7

About 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide

2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide (PubChem CID 110763222) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
PubChem CID110763222
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H21NO4/c1-10-8-13(19-4)11(9-12(10)18-3)14(16)15-6-5-7-17-2/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJLXAYCNQGBOGKH-UHFFFAOYSA-N
XLogP1.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044
4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide
CID 39348034
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
CID 47268064
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide?
The IUPAC name of 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide (CID 110763222) is 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide is COCCCNC(=O)c1cc(OC)c(C)cc1OC.
What is the InChIKey of 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide?
The InChIKey is JLXAYCNQGBOGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-8-13(19-4)11(9-12(10)18-3)14(16)15-6-5-7-17-2/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide?
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide is sourced from PubChem (CID 110763222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).