3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide

C14H22N2O3 — CID 65050177

IUPAC3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1ccc(OC)c(N)c1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)12(8-18-3)16-14(17)10-5-6-13(19-4)11(15)7-10/h5-7,9,12H,8,15H2,1-4H3,(H,16,17)
InChIKeyJQMDMTMGJUASPN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds6

About 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide

3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide (PubChem CID 65050177) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
PubChem CID65050177
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1ccc(OC)c(N)c1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)12(8-18-3)16-14(17)10-5-6-13(19-4)11(15)7-10/h5-7,9,12H,8,15H2,1-4H3,(H,16,17)
InChIKeyJQMDMTMGJUASPN-UHFFFAOYSA-N
XLogP1.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
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

3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzamide
CID 65053084
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
N-(1-bromo-3-methylbutan-2-yl)-3,4-dimethoxybenzamide
CID 113275998
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide (CID 65050177) is 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide is COCC(NC(=O)c1ccc(OC)c(N)c1)C(C)C.
What is the InChIKey of 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The InChIKey is JQMDMTMGJUASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)12(8-18-3)16-14(17)10-5-6-13(19-4)11(15)7-10/h5-7,9,12H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.68, 6 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-(1-methoxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 65050177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).