N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

C22H29NO3 — CID 17160633

IUPACN-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCC(C)Oc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-6-16(4)25-20-13-9-19(10-14-20)23-22(24)17(5)26-21-11-7-18(8-12-21)15(2)3/h7-17H,6H2,1-5H3,(H,23,24)
InChIKeyPTFLJXMWWKXQAQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.39
Rot. Bonds8

About N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 17160633) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID17160633
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCC(C)Oc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-6-16(4)25-20-13-9-19(10-14-20)23-22(24)17(5)26-21-11-7-18(8-12-21)15(2)3/h7-17H,6H2,1-5H3,(H,23,24)
InChIKeyPTFLJXMWWKXQAQ-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953686

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 17160633) is N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is CCC(C)Oc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is PTFLJXMWWKXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-16(4)25-20-13-9-19(10-14-20)23-22(24)17(5)26-21-11-7-18(8-12-21)15(2)3/h7-17H,6H2,1-5H3,(H,23,24).
What are the key properties of N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17160633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).