2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide

C29H34N2O3 — CID 17222982

IUPAC2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C29H34N2O3/c1-4-21(3)25-16-9-10-17-27(25)34-26(5-2)29(33)31-24-15-11-14-23(20-24)30-28(32)19-18-22-12-7-6-8-13-22/h6-17,20-21,26H,4-5,18-19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyLCYSALOHASXBFW-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.57
Rot. Bonds11

About 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide

2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide (PubChem CID 17222982) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
PubChem CID17222982
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C29H34N2O3/c1-4-21(3)25-16-9-10-17-27(25)34-26(5-2)29(33)31-24-15-11-14-23(20-24)30-28(32)19-18-22-12-7-6-8-13-22/h6-17,20-21,26H,4-5,18-19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyLCYSALOHASXBFW-UHFFFAOYSA-N
XLogP6.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912158
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 17170670

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide (CID 17222982) is 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
The InChIKey is LCYSALOHASXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-4-21(3)25-16-9-10-17-27(25)34-26(5-2)29(33)31-24-15-11-14-23(20-24)30-28(32)19-18-22-12-7-6-8-13-22/h6-17,20-21,26H,4-5,18-19H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide?
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide has a molecular weight of 458.60 g/mol, XLogP of 6.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 17222982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).