2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide

C18H31N3O — CID 70551962

IUPAC2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide
SMILESCCN(CC)C(CCNC(=O)c1ccccc1N)CC(C)C
InChIInChI=1S/C18H31N3O/c1-5-21(6-2)15(13-14(3)4)11-12-20-18(22)16-9-7-8-10-17(16)19/h7-10,14-15H,5-6,11-13,19H2,1-4H3,(H,20,22)
InChIKeyRCFYNPTZBYFPRY-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.15
Rot. Bonds9

About 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide

2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide (PubChem CID 70551962) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide
PubChem CID70551962
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide
SMILESCCN(CC)C(CCNC(=O)c1ccccc1N)CC(C)C
InChIInChI=1S/C18H31N3O/c1-5-21(6-2)15(13-14(3)4)11-12-20-18(22)16-9-7-8-10-17(16)19/h7-10,14-15H,5-6,11-13,19H2,1-4H3,(H,20,22)
InChIKeyRCFYNPTZBYFPRY-UHFFFAOYSA-N
XLogP3.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.15
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

2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide?
The IUPAC name of 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide (CID 70551962) is 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide is CCN(CC)C(CCNC(=O)c1ccccc1N)CC(C)C.
What is the InChIKey of 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide?
The InChIKey is RCFYNPTZBYFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-5-21(6-2)15(13-14(3)4)11-12-20-18(22)16-9-7-8-10-17(16)19/h7-10,14-15H,5-6,11-13,19H2,1-4H3,(H,20,22).
What are the key properties of 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide?
2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide has a molecular weight of 305.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide is sourced from PubChem (CID 70551962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).