N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide

C24H32N2O3 — CID 17198918

IUPACN-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-7-16(2)25-23(28)18-9-8-10-20(15-18)26-22(27)17(3)29-21-13-11-19(12-14-21)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,28)(H,26,27)
InChIKeyPDSAPXFGXPKKBA-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.92
Rot. Bonds7

About N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide

N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide (PubChem CID 17198918) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
PubChem CID17198918
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-7-16(2)25-23(28)18-9-8-10-20(15-18)26-22(27)17(3)29-21-13-11-19(12-14-21)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,28)(H,26,27)
InChIKeyPDSAPXFGXPKKBA-UHFFFAOYSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202386
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide (CID 17198918) is N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide?
The InChIKey is PDSAPXFGXPKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-7-16(2)25-23(28)18-9-8-10-20(15-18)26-22(27)17(3)29-21-13-11-19(12-14-21)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,28)(H,26,27).
What are the key properties of N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide?
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).