3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide

C15H23N3O2 — CID 119609065

IUPAC3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(3,9-16)18-14(20)12-7-5-6-11(8-12)13(19)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWAEHRUUWYQDPDL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.15
Rot. Bonds5

About 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide

3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 119609065) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID119609065
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(3,9-16)18-14(20)12-7-5-6-11(8-12)13(19)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWAEHRUUWYQDPDL-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide (CID 119609065) is 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NC(C)(CN)C(C)C)c1.
What is the InChIKey of 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is WAEHRUUWYQDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)15(3,9-16)18-14(20)12-7-5-6-11(8-12)13(19)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119609065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).