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

C13H20N2O2 — CID 43131167

IUPAC3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1N
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)15-13(16)10-5-6-12(17-4)11(14)7-10/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyYGUHTWICLNEGQJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds4

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

3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43131167) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID43131167
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1N
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)15-13(16)10-5-6-12(17-4)11(14)7-10/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyYGUHTWICLNEGQJ-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
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

methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
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
3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide
CID 19996610
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide (CID 43131167) is 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)C(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is YGUHTWICLNEGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)9(3)15-13(16)10-5-6-12(17-4)11(14)7-10/h5-9H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43131167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).