N-(3-amino-2-methylpropyl)-4-methylbenzamide

C12H18N2O — CID 62668533

IUPACN-(3-amino-2-methylpropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)CN)cc1
InChIInChI=1S/C12H18N2O/c1-9-3-5-11(6-4-9)12(15)14-8-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZTKYQQVCUXPWOU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-4-methylbenzamide

N-(3-amino-2-methylpropyl)-4-methylbenzamide (PubChem CID 62668533) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-methylbenzamide
PubChem CID62668533
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-amino-2-methylpropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)CN)cc1
InChIInChI=1S/C12H18N2O/c1-9-3-5-11(6-4-9)12(15)14-8-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZTKYQQVCUXPWOU-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-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
N-[3-[(3-amino-2-methylpropyl)amino]-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119998350
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-methylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-methylbenzamide (CID 62668533) is N-(3-amino-2-methylpropyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-methylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)CN)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-methylbenzamide?
The InChIKey is ZTKYQQVCUXPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-3-5-11(6-4-9)12(15)14-8-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(3-amino-2-methylpropyl)-4-methylbenzamide?
N-(3-amino-2-methylpropyl)-4-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)-4-methylbenzamide is sourced from PubChem (CID 62668533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).