2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide

C17H27NO3 — CID 133203827

IUPAC2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-12-20-17(5,7-2)16(19)18-14-8-10-15(11-9-14)21-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)
InChIKeyODPCGQZLWXSSDQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds8

About 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide

2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide (PubChem CID 133203827) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
PubChem CID133203827
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-12-20-17(5,7-2)16(19)18-14-8-10-15(11-9-14)21-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)
InChIKeyODPCGQZLWXSSDQ-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947
2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
CID 100737138
(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738354
(2R)-N-[4-[(2S)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738347
N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133246278
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
CID 100699590
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide (CID 133203827) is 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide is CCCOC(C)(CC)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The InChIKey is ODPCGQZLWXSSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-12-20-17(5,7-2)16(19)18-14-8-10-15(11-9-14)21-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide?
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide is sourced from PubChem (CID 133203827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).