2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

C14H22N2O2 — CID 81420291

IUPAC2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)C(C)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)13-11(15)7-6-8-12(13)18-5/h6-10H,15H2,1-5H3
InChIKeyBNTCZTHXLBQHRJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 81420291) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID81420291
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)C(C)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)13-11(15)7-6-8-12(13)18-5/h6-10H,15H2,1-5H3
InChIKeyBNTCZTHXLBQHRJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656484
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
2-amino-N-(2-cyanoethyl)-6-methoxy-N-propan-2-ylbenzamide
CID 81420709
(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 81414149
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81420879

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 81420291) is 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is COc1cccc(N)c1C(=O)N(C)C(C)C(C)C.
What is the InChIKey of 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is BNTCZTHXLBQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)13-11(15)7-6-8-12(13)18-5/h6-10H,15H2,1-5H3.
What are the key properties of 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 81420291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).