N-(4-hydroxybutyl)-2,3-dimethoxybenzamide

C13H19NO4 — CID 106843372

IUPACN-(4-hydroxybutyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCO)c1OC
InChIInChI=1S/C13H19NO4/c1-17-11-7-5-6-10(12(11)18-2)13(16)14-8-3-4-9-15/h5-7,15H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyMQZAUUJTPOMAMH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.21
Rot. Bonds7

About N-(4-hydroxybutyl)-2,3-dimethoxybenzamide

N-(4-hydroxybutyl)-2,3-dimethoxybenzamide (PubChem CID 106843372) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2,3-dimethoxybenzamide
PubChem CID106843372
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(4-hydroxybutyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCO)c1OC
InChIInChI=1S/C13H19NO4/c1-17-11-7-5-6-10(12(11)18-2)13(16)14-8-3-4-9-15/h5-7,15H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyMQZAUUJTPOMAMH-UHFFFAOYSA-N
XLogP1.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
CID 77036754
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4-hydroxybutyl)-2,3-dimethoxybenzamide (CID 106843372) is N-(4-hydroxybutyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4-hydroxybutyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCCCO)c1OC.
What is the InChIKey of N-(4-hydroxybutyl)-2,3-dimethoxybenzamide?
The InChIKey is MQZAUUJTPOMAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-11-7-5-6-10(12(11)18-2)13(16)14-8-3-4-9-15/h5-7,15H,3-4,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxybutyl)-2,3-dimethoxybenzamide?
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 106843372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).