N-(4-amino-2-methylbutyl)-2-methylbenzamide

C13H20N2O — CID 66089966

IUPACN-(4-amino-2-methylbutyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)CCN
InChIInChI=1S/C13H20N2O/c1-10(7-8-14)9-15-13(16)12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyMMKKIPCLCOTXQH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-2-methylbenzamide

N-(4-amino-2-methylbutyl)-2-methylbenzamide (PubChem CID 66089966) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-methylbenzamide
PubChem CID66089966
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-amino-2-methylbutyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)CCN
InChIInChI=1S/C13H20N2O/c1-10(7-8-14)9-15-13(16)12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyMMKKIPCLCOTXQH-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
CID 66090450
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-methylbenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-methylbenzamide (CID 66089966) is N-(4-amino-2-methylbutyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC(C)CCN.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-methylbenzamide?
The InChIKey is MMKKIPCLCOTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(7-8-14)9-15-13(16)12-6-4-3-5-11(12)2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylbutyl)-2-methylbenzamide?
N-(4-amino-2-methylbutyl)-2-methylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-methylbenzamide is sourced from PubChem (CID 66089966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).