N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide

C14H22N2O2 — CID 115271616

IUPACN-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C)cc1C(=O)NCC(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-5-11(3)13(18-4)12(6-9)14(17)16-8-10(2)7-15/h5-6,10H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyAMRRKNMXUKGVMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide

N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide (PubChem CID 115271616) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
PubChem CID115271616
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C)cc1C(=O)NCC(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-5-11(3)13(18-4)12(6-9)14(17)16-8-10(2)7-15/h5-6,10H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyAMRRKNMXUKGVMZ-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)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923528
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide (CID 115271616) is N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide is COc1c(C)cc(C)cc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide?
The InChIKey is AMRRKNMXUKGVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-11(3)13(18-4)12(6-9)14(17)16-8-10(2)7-15/h5-6,10H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide?
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-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)-2-methoxy-3,5-dimethylbenzamide is sourced from PubChem (CID 115271616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).