N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide

C21H28N2O2 — CID 132652146

IUPACN-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-20(25-19-13-8-10-17(2)16-19)21(24)22-14-9-15-23(3)18-11-6-5-7-12-18/h5-8,10-13,16,20H,4,9,14-15H2,1-3H3,(H,22,24)
InChIKeyDDJMIFLAHHSVPC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.80
Rot. Bonds9

About N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide

N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide (PubChem CID 132652146) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
PubChem CID132652146
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-20(25-19-13-8-10-17(2)16-19)21(24)22-14-9-15-23(3)18-11-6-5-7-12-18/h5-8,10-13,16,20H,4,9,14-15H2,1-3H3,(H,22,24)
InChIKeyDDJMIFLAHHSVPC-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162969
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide
CID 4929424
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide (CID 132652146) is N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is DDJMIFLAHHSVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-20(25-19-13-8-10-17(2)16-19)21(24)22-14-9-15-23(3)18-11-6-5-7-12-18/h5-8,10-13,16,20H,4,9,14-15H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide?
N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 132652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).