N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide

C12H19N3O3 — CID 89277781

IUPACN-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN(C)C)ccc1NO
InChIInChI=1S/C12H19N3O3/c1-15(2)7-6-13-12(16)9-4-5-10(14-17)11(8-9)18-3/h4-5,8,14,17H,6-7H2,1-3H3,(H,13,16)
InChIKeyIFOROYLFMNZLQK-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide

N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide (PubChem CID 89277781) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
PubChem CID89277781
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN(C)C)ccc1NO
InChIInChI=1S/C12H19N3O3/c1-15(2)7-6-13-12(16)9-4-5-10(14-17)11(8-9)18-3/h4-5,8,14,17H,6-7H2,1-3H3,(H,13,16)
InChIKeyIFOROYLFMNZLQK-UHFFFAOYSA-N
XLogP0.79
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide (CID 89277781) is N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide is COc1cc(C(=O)NCCN(C)C)ccc1NO.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide?
The InChIKey is IFOROYLFMNZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(2)7-6-13-12(16)9-4-5-10(14-17)11(8-9)18-3/h4-5,8,14,17H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide?
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide is sourced from PubChem (CID 89277781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).