N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C13H19N3O3 — CID 33101638

IUPACN-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCONC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19N3O3/c1-9(2)15-13(18)14-8-10-4-6-11(7-5-10)12(17)16-19-3/h4-7,9H,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyAUEYNYZJVGHIRH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds5

About N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 33101638) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID33101638
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCONC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19N3O3/c1-9(2)15-13(18)14-8-10-4-6-11(7-5-10)12(17)16-19-3/h4-7,9H,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyAUEYNYZJVGHIRH-UHFFFAOYSA-N
XLogP1.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
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

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
1-[[4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9328543
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734994
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915474
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
butyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 24531028
[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734953
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9453639
1-[[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9274115

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 33101638) is N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CONC(=O)c1ccc(CNC(=O)NC(C)C)cc1.
What is the InChIKey of N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is AUEYNYZJVGHIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)15-13(18)14-8-10-4-6-11(7-5-10)12(17)16-19-3/h4-7,9H,8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 33101638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).