2-[1-(hydroxyamino)butyl]-N-methylbenzamide

C12H18N2O2 — CID 134294067

IUPAC2-[1-(hydroxyamino)butyl]-N-methylbenzamide
SMILESCCCC(NO)c1ccccc1C(=O)NC
InChIInChI=1S/C12H18N2O2/c1-3-6-11(14-16)9-7-4-5-8-10(9)12(15)13-2/h4-5,7-8,11,14,16H,3,6H2,1-2H3,(H,13,15)
InChIKeyQHBBVYGNQRRIJB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.87
Rot. Bonds5

About 2-[1-(hydroxyamino)butyl]-N-methylbenzamide

2-[1-(hydroxyamino)butyl]-N-methylbenzamide (PubChem CID 134294067) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(hydroxyamino)butyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[1-(hydroxyamino)butyl]-N-methylbenzamide
PubChem CID134294067
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-(hydroxyamino)butyl]-N-methylbenzamide
SMILESCCCC(NO)c1ccccc1C(=O)NC
InChIInChI=1S/C12H18N2O2/c1-3-6-11(14-16)9-7-4-5-8-10(9)12(15)13-2/h4-5,7-8,11,14,16H,3,6H2,1-2H3,(H,13,15)
InChIKeyQHBBVYGNQRRIJB-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(trimethylsilyl)methyl]-N-methylbenzamide
CID 10637506
2-(1-fluorobutyl)benzohydrazide
CID 146469661
lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide
CID 10564232
(2-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
methyl 2-[(1S,2R)-1-amino-2-hydroxypentyl]benzoate;hydrochloride
CID 171270115
2-(1-phenylbutyl)benzoic acid
CID 118163861
2-(1-carboxybutyl)benzoic acid
CID 51041232

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxyamino)butyl]-N-methylbenzamide?
The IUPAC name of 2-[1-(hydroxyamino)butyl]-N-methylbenzamide (CID 134294067) is 2-[1-(hydroxyamino)butyl]-N-methylbenzamide.
What is the SMILES notation for 2-[1-(hydroxyamino)butyl]-N-methylbenzamide?
The canonical SMILES for 2-[1-(hydroxyamino)butyl]-N-methylbenzamide is CCCC(NO)c1ccccc1C(=O)NC.
What is the InChIKey of 2-[1-(hydroxyamino)butyl]-N-methylbenzamide?
The InChIKey is QHBBVYGNQRRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-11(14-16)9-7-4-5-8-10(9)12(15)13-2/h4-5,7-8,11,14,16H,3,6H2,1-2H3,(H,13,15).
What are the key properties of 2-[1-(hydroxyamino)butyl]-N-methylbenzamide?
2-[1-(hydroxyamino)butyl]-N-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxyamino)butyl]-N-methylbenzamide is sourced from PubChem (CID 134294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).