(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one

C15H23NO2 — CID 11425205

IUPAC(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
SMILESCOc1ccc(N[C@@H](CC(C)=O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)9-14(10-12(3)17)16-13-5-7-15(18-4)8-6-13/h5-8,11,14,16H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyJWBIOMXXKDROJC-CQSZACIVSA-N
MW249.35 g/mol
LogP3.50
Rot. Bonds7

About (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one

(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one (PubChem CID 11425205) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
PubChem CID11425205
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
SMILESCOc1ccc(N[C@@H](CC(C)=O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)9-14(10-12(3)17)16-13-5-7-15(18-4)8-6-13/h5-8,11,14,16H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyJWBIOMXXKDROJC-CQSZACIVSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
CID 114201074
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (2R,3S)-3-amino-2-(4-methoxyanilino)butanoate
CID 10105611
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
(3S)-3-(4-methoxyanilino)-5,5-dimethylhexan-2-one
CID 101204595
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
methyl (2S)-4-methyl-2-[[3,3,3-trifluoro-2-(4-methoxyanilino)propanoyl]amino]pentanoate
CID 101397777
N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
CID 28531809

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one?
The IUPAC name of (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one (CID 11425205) is (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one.
What is the SMILES notation for (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one?
The canonical SMILES for (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one is COc1ccc(N[C@@H](CC(C)=O)CC(C)C)cc1.
What is the InChIKey of (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one?
The InChIKey is JWBIOMXXKDROJC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)9-14(10-12(3)17)16-13-5-7-15(18-4)8-6-13/h5-8,11,14,16H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one?
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one has a molecular weight of 249.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyanilino)-6-methylheptan-2-one is sourced from PubChem (CID 11425205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).