N-(3-amino-2-methylpropyl)-2-methylbenzamide

C12H18N2O — CID 62666683

IUPACN-(3-amino-2-methylpropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)CN
InChIInChI=1S/C12H18N2O/c1-9(7-13)8-14-12(15)11-6-4-3-5-10(11)2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyYQIOETTVZLJCTI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2-methylbenzamide

N-(3-amino-2-methylpropyl)-2-methylbenzamide (PubChem CID 62666683) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methylbenzamide
PubChem CID62666683
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-amino-2-methylpropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)CN
InChIInChI=1S/C12H18N2O/c1-9(7-13)8-14-12(15)11-6-4-3-5-10(11)2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyYQIOETTVZLJCTI-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
CID 119998328
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 111662203

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methylbenzamide (CID 62666683) is N-(3-amino-2-methylpropyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methylbenzamide?
The InChIKey is YQIOETTVZLJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(7-13)8-14-12(15)11-6-4-3-5-10(11)2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(3-amino-2-methylpropyl)-2-methylbenzamide?
N-(3-amino-2-methylpropyl)-2-methylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-methylbenzamide is sourced from PubChem (CID 62666683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).