N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide

C13H19NO3 — CID 96661449

IUPACN-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C)cc1C(=O)NCCCO
InChIInChI=1S/C13H19NO3/c1-9-7-10(2)12(17-3)11(8-9)13(16)14-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyCUNBLYYPARADFH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds5

About N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide

N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide (PubChem CID 96661449) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
PubChem CID96661449
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C)cc1C(=O)NCCCO
InChIInChI=1S/C13H19NO3/c1-9-7-10(2)12(17-3)11(8-9)13(16)14-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyCUNBLYYPARADFH-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.42
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

N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
methyl 4-[(2-bromo-3,5-dimethylbenzoyl)amino]butanoate
CID 75507578
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide (CID 96661449) is N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide is COc1c(C)cc(C)cc1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide?
The InChIKey is CUNBLYYPARADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-10(2)12(17-3)11(8-9)13(16)14-5-4-6-15/h7-8,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide?
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide is sourced from PubChem (CID 96661449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).