N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide

C14H22N2O2 — CID 115271620

IUPACN-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)NCC(C)CN)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-9(7-15)8-16-14(17)12-5-6-13(18-4)11(3)10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyRJPCYICXTQGVIE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide

N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide (PubChem CID 115271620) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
PubChem CID115271620
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)NCC(C)CN)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-9(7-15)8-16-14(17)12-5-6-13(18-4)11(3)10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyRJPCYICXTQGVIE-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144
N-(3-chloro-2-methylpropyl)-2,3,4-trimethoxybenzamide
CID 114302515
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
CID 119998328
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide (CID 115271620) is N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide is COc1ccc(C(=O)NCC(C)CN)c(C)c1C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide?
The InChIKey is RJPCYICXTQGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(7-15)8-16-14(17)12-5-6-13(18-4)11(3)10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide?
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide is sourced from PubChem (CID 115271620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).