2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide

C23H31NO3 — CID 17150722

IUPAC2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
SMILESCCCOc1cccc(NC(=O)C(CC)Oc2ccccc2C(C)CC)c1
InChIInChI=1S/C23H31NO3/c1-5-15-26-19-12-10-11-18(16-19)24-23(25)21(7-3)27-22-14-9-8-13-20(22)17(4)6-2/h8-14,16-17,21H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyGSSYSSAZNWXPBP-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.78
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide (PubChem CID 17150722) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
PubChem CID17150722
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
SMILESCCCOc1cccc(NC(=O)C(CC)Oc2ccccc2C(C)CC)c1
InChIInChI=1S/C23H31NO3/c1-5-15-26-19-12-10-11-18(16-19)24-23(25)21(7-3)27-22-14-9-8-13-20(22)17(4)6-2/h8-14,16-17,21H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyGSSYSSAZNWXPBP-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 17170670
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
CID 17150622
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide (CID 17150722) is 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide is CCCOc1cccc(NC(=O)C(CC)Oc2ccccc2C(C)CC)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide?
The InChIKey is GSSYSSAZNWXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-5-15-26-19-12-10-11-18(16-19)24-23(25)21(7-3)27-22-14-9-8-13-20(22)17(4)6-2/h8-14,16-17,21H,5-7,15H2,1-4H3,(H,24,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide has a molecular weight of 369.51 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide is sourced from PubChem (CID 17150722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).