N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide

C15H23NO — CID 89171234

IUPACN-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
SMILESCCC(C)[C@H](c1ccccc1C)N(C=O)CC
InChIInChI=1S/C15H23NO/c1-5-12(3)15(16(6-2)11-17)14-10-8-7-9-13(14)4/h7-12,15H,5-6H2,1-4H3/t12?,15-/m1/s1
InChIKeyRJTVAUSJUHGQIA-WPZCJLIBSA-N
MW233.36 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide

N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide (PubChem CID 89171234) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
PubChem CID89171234
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
SMILESCCC(C)[C@H](c1ccccc1C)N(C=O)CC
InChIInChI=1S/C15H23NO/c1-5-12(3)15(16(6-2)11-17)14-10-8-7-9-13(14)4/h7-12,15H,5-6H2,1-4H3/t12?,15-/m1/s1
InChIKeyRJTVAUSJUHGQIA-WPZCJLIBSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
(4R)-4-(2-methylphenyl)hexanal
CID 102442403
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CID 55018276
4-(2-methylphenyl)pentanal
CID 88619188
(2S)-2-amino-2-methyl-3-[(2S,3S)-4-methyl-3-(2-methylphenyl)hexan-2-yl]oxypropanal
CID 174041181
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
2-amino-3-[4-[[amino-[1-(2-ethylphenyl)-3-methyl-2-(2-methylphenyl)pentyl]amino]methyl]phenyl]propanal
CID 170621871
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide?
The IUPAC name of N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide (CID 89171234) is N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide.
What is the SMILES notation for N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide?
The canonical SMILES for N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide is CCC(C)[C@H](c1ccccc1C)N(C=O)CC.
What is the InChIKey of N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide?
The InChIKey is RJTVAUSJUHGQIA-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12(3)15(16(6-2)11-17)14-10-8-7-9-13(14)4/h7-12,15H,5-6H2,1-4H3/t12?,15-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide?
N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide has a molecular weight of 233.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide is sourced from PubChem (CID 89171234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).