N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide

C19H32N2O — CID 146667862

IUPACN-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(N(CC)CC)ccc1C
InChIInChI=1S/C19H32N2O/c1-6-10-11-16(7-2)19(22)20-18-14-17(13-12-15(18)5)21(8-3)9-4/h12-14,16H,6-11H2,1-5H3,(H,20,22)
InChIKeyVBTRVOFJUCOELZ-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.00
Rot. Bonds9

About N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide

N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide (PubChem CID 146667862) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
PubChem CID146667862
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(N(CC)CC)ccc1C
InChIInChI=1S/C19H32N2O/c1-6-10-11-16(7-2)19(22)20-18-14-17(13-12-15(18)5)21(8-3)9-4/h12-14,16H,6-11H2,1-5H3,(H,20,22)
InChIKeyVBTRVOFJUCOELZ-UHFFFAOYSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-2-ethylhexanamide
CID 47475993
N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944628
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
CID 107301300
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide?
The IUPAC name of N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide (CID 146667862) is N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide.
What is the SMILES notation for N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide?
The canonical SMILES for N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(N(CC)CC)ccc1C.
What is the InChIKey of N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide?
The InChIKey is VBTRVOFJUCOELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-6-10-11-16(7-2)19(22)20-18-14-17(13-12-15(18)5)21(8-3)9-4/h12-14,16H,6-11H2,1-5H3,(H,20,22).
What are the key properties of N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide?
N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide has a molecular weight of 304.48 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide is sourced from PubChem (CID 146667862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).