2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide

C14H22N2O — CID 62663644

IUPAC2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10(2)15-8-9-16-14(17)13-7-5-6-11(3)12(13)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyYNXJPALUEFHZKA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds5

About 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide

2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62663644) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62663644
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10(2)15-8-9-16-14(17)13-7-5-6-11(3)12(13)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyYNXJPALUEFHZKA-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2-[[(2,3-dimethylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220216
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2,3-dimethylbenzohydrazide
CID 16790549
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
CID 47337096

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62663644) is 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide is Cc1cccc(C(=O)NCCNC(C)C)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is YNXJPALUEFHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)15-8-9-16-14(17)13-7-5-6-11(3)12(13)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62663644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).