3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide

C29H34N2O3 — CID 43877899

IUPAC3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H34N2O3/c1-5-20(3)25-17-10-11-18-27(25)34-26(6-2)29(33)31-24-16-12-15-23(19-24)28(32)30-21(4)22-13-8-7-9-14-22/h7-21,26H,5-6H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyYTWIRVWGYZPYFW-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.49
Rot. Bonds10

About 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide

3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43877899) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43877899
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H34N2O3/c1-5-20(3)25-17-10-11-18-27(25)34-26(6-2)29(33)31-24-16-12-15-23(19-24)28(32)30-21(4)22-13-8-7-9-14-22/h7-21,26H,5-6H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyYTWIRVWGYZPYFW-UHFFFAOYSA-N
XLogP6.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877810
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 17170670
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
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-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide (CID 43877899) is 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is YTWIRVWGYZPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-5-20(3)25-17-10-11-18-27(25)34-26(6-2)29(33)31-24-16-12-15-23(19-24)28(32)30-21(4)22-13-8-7-9-14-22/h7-21,26H,5-6H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide?
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 458.60 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).