2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide

C13H18N2O2 — CID 114154654

IUPAC2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
SMILESCOc1cccc(N)c1C(=O)NCC=C(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)7-8-15-13(16)12-10(14)5-4-6-11(12)17-3/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyDNORKAALBRIFNQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide

2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide (PubChem CID 114154654) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
PubChem CID114154654
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
SMILESCOc1cccc(N)c1C(=O)NCC=C(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)7-8-15-13(16)12-10(14)5-4-6-11(12)17-3/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyDNORKAALBRIFNQ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide (CID 114154654) is 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide is COc1cccc(N)c1C(=O)NCC=C(C)C.
What is the InChIKey of 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is DNORKAALBRIFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)7-8-15-13(16)12-10(14)5-4-6-11(12)17-3/h4-7H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide?
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 114154654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).