5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide

C14H20N2O3 — CID 55226609

IUPAC5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-13-3-2-11(15)8-12(13)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyIRARQVZUCROUNC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds4

About 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide

5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide (PubChem CID 55226609) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
PubChem CID55226609
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-13-3-2-11(15)8-12(13)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyIRARQVZUCROUNC-UHFFFAOYSA-N
XLogP1.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide (CID 55226609) is 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide is COc1ccc(N)cc1C(=O)NCC1CCOCC1.
What is the InChIKey of 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is IRARQVZUCROUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-3-2-11(15)8-12(13)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide?
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 55226609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).