N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide

C14H22N2O — CID 66092297

IUPACN-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(C)CCN)c1C
InChIInChI=1S/C14H22N2O/c1-10(7-8-15)9-16-14(17)13-6-4-5-11(2)12(13)3/h4-6,10H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyANOYQRVUEZDHIE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide

N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide (PubChem CID 66092297) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
PubChem CID66092297
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(C)CCN)c1C
InChIInChI=1S/C14H22N2O/c1-10(7-8-15)9-16-14(17)13-6-4-5-11(2)12(13)3/h4-6,10H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyANOYQRVUEZDHIE-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
CID 66090450
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-[[(2,3-dimethylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220216
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
CID 119998328
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide (CID 66092297) is N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC(C)CCN)c1C.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide?
The InChIKey is ANOYQRVUEZDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(7-8-15)9-16-14(17)13-6-4-5-11(2)12(13)3/h4-6,10H,7-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide?
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.02, 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)-2,3-dimethylbenzamide is sourced from PubChem (CID 66092297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).