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

C12H17NO4 — CID 43390013

IUPACN-(3-hydroxypropyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-16-9-4-5-10(11(8-9)17-2)12(15)13-6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyINIKCWWODBGKTL-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.82
Rot. Bonds6

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

N-(3-hydroxypropyl)-2,4-dimethoxybenzamide (PubChem CID 43390013) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dimethoxybenzamide
PubChem CID43390013
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(3-hydroxypropyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-16-9-4-5-10(11(8-9)17-2)12(15)13-6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyINIKCWWODBGKTL-UHFFFAOYSA-N
XLogP0.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.82
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-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dimethoxybenzamide (CID 43390013) is N-(3-hydroxypropyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCO)c(OC)c1.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dimethoxybenzamide?
The InChIKey is INIKCWWODBGKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-16-9-4-5-10(11(8-9)17-2)12(15)13-6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(3-hydroxypropyl)-2,4-dimethoxybenzamide?
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 43390013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).