2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide

C16H25NO2 — CID 100709096

IUPAC2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11(2)19-8-6-7-17-16(18)15-10-13(4)12(3)9-14(15)5/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyDPKVTNQYBYPJCX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide

2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 100709096) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID100709096
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11(2)19-8-6-7-17-16(18)15-10-13(4)12(3)9-14(15)5/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyDPKVTNQYBYPJCX-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
CID 84558066
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide (CID 100709096) is 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1cc(C)c(C(=O)NCCCOC(C)C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is DPKVTNQYBYPJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)19-8-6-7-17-16(18)15-10-13(4)12(3)9-14(15)5/h9-11H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide?
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 100709096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).