2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide

C22H37NO3 — CID 100725725

IUPAC2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-8-26-22(13-16(2)3,14-17(4)5)21(24)23-19-9-11-20(12-10-19)25-15-18(6)7/h9-12,16-18H,8,13-15H2,1-7H3,(H,23,24)
InChIKeyGNGPZOCZVREGLL-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.53
Rot. Bonds11

About 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide

2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide (PubChem CID 100725725) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
PubChem CID100725725
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-8-26-22(13-16(2)3,14-17(4)5)21(24)23-19-9-11-20(12-10-19)25-15-18(6)7/h9-12,16-18H,8,13-15H2,1-7H3,(H,23,24)
InChIKeyGNGPZOCZVREGLL-UHFFFAOYSA-N
XLogP5.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
CID 100710857
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100725803
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776520
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(6-propoxy-3-pyridinyl)pentanamide
CID 100776523
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100740929
4-methyl-2-(2-methylpropyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740852
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide?
The IUPAC name of 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide (CID 100725725) is 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide is CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide?
The InChIKey is GNGPZOCZVREGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-8-26-22(13-16(2)3,14-17(4)5)21(24)23-19-9-11-20(12-10-19)25-15-18(6)7/h9-12,16-18H,8,13-15H2,1-7H3,(H,23,24).
What are the key properties of 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide?
2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide has a molecular weight of 363.54 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100725725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).