methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide

C21H37NO3 — CID 163654832

IUPACmethane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide
SMILESC.Cc1ccc(CNC(=O)CCCOC(C)C)cc1C(C)OC(C)C
InChIInChI=1S/C20H33NO3.CH4/c1-14(2)23-11-7-8-20(22)21-13-18-10-9-16(5)19(12-18)17(6)24-15(3)4;/h9-10,12,14-15,17H,7-8,11,13H2,1-6H3,(H,21,22);1H4
InChIKeyIPHRJXODCTWCKJ-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.94
Rot. Bonds10

About methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide

methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide (PubChem CID 163654832) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide.

Molecular Properties

Compound Namemethane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide
PubChem CID163654832
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Namemethane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide
SMILESC.Cc1ccc(CNC(=O)CCCOC(C)C)cc1C(C)OC(C)C
InChIInChI=1S/C20H33NO3.CH4/c1-14(2)23-11-7-8-20(22)21-13-18-10-9-16(5)19(12-18)17(6)24-15(3)4;/h9-10,12,14-15,17H,7-8,11,13H2,1-6H3,(H,21,22);1H4
InChIKeyIPHRJXODCTWCKJ-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide?
The IUPAC name of methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide (CID 163654832) is methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide.
What is the SMILES notation for methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide?
The canonical SMILES for methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide is C.Cc1ccc(CNC(=O)CCCOC(C)C)cc1C(C)OC(C)C.
What is the InChIKey of methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide?
The InChIKey is IPHRJXODCTWCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3.CH4/c1-14(2)23-11-7-8-20(22)21-13-18-10-9-16(5)19(12-18)17(6)24-15(3)4;/h9-10,12,14-15,17H,7-8,11,13H2,1-6H3,(H,21,22);1H4.
What are the key properties of methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide?
methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide has a molecular weight of 351.53 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[[4-methyl-3-(1-propan-2-yloxyethyl)phenyl]methyl]-4-propan-2-yloxybutanamide is sourced from PubChem (CID 163654832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).