N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium

C23H35N2O+ — CID 91434931

IUPACN-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
SMILESCCC(C)C(=O)N(Cc1ccccc1)c1ccccc1.CC[N+](C)(C)C
InChIInChI=1S/C18H21NO.C5H14N/c1-3-15(2)18(20)19(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16;1-5-6(2,3)4/h4-13,15H,3,14H2,1-2H3;5H2,1-4H3/q;+1
InChIKeyJPKRGHVGYMRHBU-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.98
Rot. Bonds6

About N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium

N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium (PubChem CID 91434931) has the molecular formula C23H35N2O+ and a molecular weight of 355.55 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
PubChem CID91434931
Molecular FormulaC23H35N2O+
Molecular Weight355.55 g/mol
Exact Mass355.27
IUPAC NameN-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
SMILESCCC(C)C(=O)N(Cc1ccccc1)c1ccccc1.CC[N+](C)(C)C
InChIInChI=1S/C18H21NO.C5H14N/c1-3-15(2)18(20)19(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16;1-5-6(2,3)4/h4-13,15H,3,14H2,1-2H3;5H2,1-4H3/q;+1
InChIKeyJPKRGHVGYMRHBU-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-2-bromo-N-phenylbutanamide
CID 93477428
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
(2R)-N-benzyl-7-cyano-2-ethyl-N-phenylheptanamide
CID 135712842
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride
CID 75429738
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
benzyl(butan-2-yl)carbamic acid
CID 18954164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium?
The IUPAC name of N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium (CID 91434931) is N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium.
What is the SMILES notation for N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium?
The canonical SMILES for N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium is CCC(C)C(=O)N(Cc1ccccc1)c1ccccc1.CC[N+](C)(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium?
The InChIKey is JPKRGHVGYMRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C5H14N/c1-3-15(2)18(20)19(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16;1-5-6(2,3)4/h4-13,15H,3,14H2,1-2H3;5H2,1-4H3/q;+1.
What are the key properties of N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium?
N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium has a molecular weight of 355.55 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium is sourced from PubChem (CID 91434931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).