5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide

C12H18N2O2 — CID 102538173

IUPAC5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12(15)11-6-10(13)5-4-9(11)7-16-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyQSTXGTBSSHCLQI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.55
Rot. Bonds4

About 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide

5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide (PubChem CID 102538173) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide
PubChem CID102538173
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12(15)11-6-10(13)5-4-9(11)7-16-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyQSTXGTBSSHCLQI-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide (CID 102538173) is 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide is COCc1ccc(N)cc1C(=O)NC(C)C.
What is the InChIKey of 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide?
The InChIKey is QSTXGTBSSHCLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)14-12(15)11-6-10(13)5-4-9(11)7-16-3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide?
5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 102538173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).