3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide

C14H22N2O3 — CID 82070538

IUPAC3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)C)cc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-4-7-16-14(17)11-5-6-13(18-3)12(15)9-11/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyWLXQIBYYESQSES-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide

3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 82070538) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID82070538
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)C)cc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-4-7-16-14(17)11-5-6-13(18-3)12(15)9-11/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyWLXQIBYYESQSES-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide (CID 82070538) is 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide is COc1ccc(C(=O)NCCCOC(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is WLXQIBYYESQSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)19-8-4-7-16-14(17)11-5-6-13(18-3)12(15)9-11/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide?
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 82070538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).