N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide

C15H24N2O3 — CID 63754722

IUPACN-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)5-12(9-16)17-15(18)11-6-13(19-3)8-14(7-11)20-4/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyLILQJPLQMHIKMH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.81
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide

N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide (PubChem CID 63754722) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
PubChem CID63754722
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)5-12(9-16)17-15(18)11-6-13(19-3)8-14(7-11)20-4/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyLILQJPLQMHIKMH-UHFFFAOYSA-N
XLogP1.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119587432
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
N-(1-amino-4-methylpentan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide;hydrochloride
CID 119586549
N-(1-amino-4-methylpentan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737402
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide (CID 63754722) is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is LILQJPLQMHIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)5-12(9-16)17-15(18)11-6-13(19-3)8-14(7-11)20-4/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide?
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 63754722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).