N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide

C12H16N2O4 — CID 84579023

IUPACN-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCCCNC=O
InChIInChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(16)11(10)12(17)14-7-3-6-13-8-15/h2,4-5,8,16H,3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyDFXLUOAPGAVTQR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.27
Rot. Bonds7

About N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide

N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide (PubChem CID 84579023) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
PubChem CID84579023
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCCCNC=O
InChIInChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(16)11(10)12(17)14-7-3-6-13-8-15/h2,4-5,8,16H,3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyDFXLUOAPGAVTQR-UHFFFAOYSA-N
XLogP0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
CID 108892277
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide (CID 84579023) is N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide is COc1cccc(O)c1C(=O)NCCCNC=O.
What is the InChIKey of N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide?
The InChIKey is DFXLUOAPGAVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(16)11(10)12(17)14-7-3-6-13-8-15/h2,4-5,8,16H,3,6-7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide?
N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide has a molecular weight of 252.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 84579023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).