5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide

C15H23N3O2 — CID 171662867

IUPAC5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cc(N)cc(C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-5-6-7-17-14(19)11-8-12(10-13(16)9-11)15(20)18(2)3/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyZRBWNTOFWMFHRW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds6

About 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide

5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide (PubChem CID 171662867) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
PubChem CID171662867
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cc(N)cc(C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-5-6-7-17-14(19)11-8-12(10-13(16)9-11)15(20)18(2)3/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyZRBWNTOFWMFHRW-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-hexadecylbenzamide
CID 54469516
3,5-diamino-N-propylbenzamide
CID 20701636
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
1-N,3-N,3-N-tris-decylbenzene-1,3,5-tricarboxamide
CID 121284589
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide (CID 171662867) is 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide is CCCCCNC(=O)c1cc(N)cc(C(=O)N(C)C)c1.
What is the InChIKey of 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide?
The InChIKey is ZRBWNTOFWMFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-6-7-17-14(19)11-8-12(10-13(16)9-11)15(20)18(2)3/h8-10H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide?
5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 171662867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).