2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide

C14H20N2O3 — CID 69161570

IUPAC2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide
SMILESCC(C)OCCCc1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C14H20N2O3/c1-9(2)19-8-4-7-10-11(13(15)17)5-3-6-12(10)14(16)18/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyZZQGVAYRUYUTMG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds7

About 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide

2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide (PubChem CID 69161570) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide
PubChem CID69161570
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide
SMILESCC(C)OCCCc1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C14H20N2O3/c1-9(2)19-8-4-7-10-11(13(15)17)5-3-6-12(10)14(16)18/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyZZQGVAYRUYUTMG-UHFFFAOYSA-N
XLogP1.24
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 154375550
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
CID 141361888
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide (CID 69161570) is 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide is CC(C)OCCCc1c(C(N)=O)cccc1C(N)=O.
What is the InChIKey of 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is ZZQGVAYRUYUTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)19-8-4-7-10-11(13(15)17)5-3-6-12(10)14(16)18/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide?
2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 69161570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).