3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide

C17H29N3O — CID 106022696

IUPAC3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
SMILESCCCCC(CCC)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-5-7-9-14(8-6-2)19-16-11-10-13(12-15(16)18)17(21)20(3)4/h10-12,14,19H,5-9,18H2,1-4H3
InChIKeyOEPSURUEFAPLBE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.74
Rot. Bonds8

About 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide

3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide (PubChem CID 106022696) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
PubChem CID106022696
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
SMILESCCCCC(CCC)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-5-7-9-14(8-6-2)19-16-11-10-13(12-15(16)18)17(21)20(3)4/h10-12,14,19H,5-9,18H2,1-4H3
InChIKeyOEPSURUEFAPLBE-UHFFFAOYSA-N
XLogP3.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
ethyl 3-amino-4-(octan-4-ylamino)benzoate
CID 106028442
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-4-(octan-4-ylamino)benzonitrile
CID 114137975
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
4,5-dimethyl-2-N-octan-4-ylbenzene-1,2-diamine
CID 114281304
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106155281
3-amino-4-[butan-2-yl(butyl)amino]-N,N-dimethylbenzamide
CID 82992945
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
CID 63994246

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide (CID 106022696) is 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide is CCCCC(CCC)Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide?
The InChIKey is OEPSURUEFAPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-7-9-14(8-6-2)19-16-11-10-13(12-15(16)18)17(21)20(3)4/h10-12,14,19H,5-9,18H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide?
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide has a molecular weight of 291.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide is sourced from PubChem (CID 106022696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).