N-(3-aminooxypropyl)-4-methylbenzamide

C11H16N2O2 — CID 39242066

IUPACN-(3-aminooxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCON)cc1
InChIInChI=1S/C11H16N2O2/c1-9-3-5-10(6-4-9)11(14)13-7-2-8-15-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyYFECKYHRCAQVIS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds5

About N-(3-aminooxypropyl)-4-methylbenzamide

N-(3-aminooxypropyl)-4-methylbenzamide (PubChem CID 39242066) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-aminooxypropyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminooxypropyl)-4-methylbenzamide
PubChem CID39242066
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(3-aminooxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCON)cc1
InChIInChI=1S/C11H16N2O2/c1-9-3-5-10(6-4-9)11(14)13-7-2-8-15-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyYFECKYHRCAQVIS-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565

Frequently Asked Questions

What is the IUPAC name of N-(3-aminooxypropyl)-4-methylbenzamide?
The IUPAC name of N-(3-aminooxypropyl)-4-methylbenzamide (CID 39242066) is N-(3-aminooxypropyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-aminooxypropyl)-4-methylbenzamide?
The canonical SMILES for N-(3-aminooxypropyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCCON)cc1.
What is the InChIKey of N-(3-aminooxypropyl)-4-methylbenzamide?
The InChIKey is YFECKYHRCAQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-3-5-10(6-4-9)11(14)13-7-2-8-15-12/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminooxypropyl)-4-methylbenzamide?
N-(3-aminooxypropyl)-4-methylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminooxypropyl)-4-methylbenzamide is sourced from PubChem (CID 39242066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).