2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide

C24H32N2O3 — CID 1000871

IUPAC2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-5-17(6-2)23(27)25-19-9-13-21(14-10-19)29-22-15-11-20(12-16-22)26-24(28)18(7-3)8-4/h9-18H,5-8H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyMKCNLAJCBIBNJX-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.23
Rot. Bonds10

About 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide

2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide (PubChem CID 1000871) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
PubChem CID1000871
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-5-17(6-2)23(27)25-19-9-13-21(14-10-19)29-22-15-11-20(12-16-22)26-24(28)18(7-3)8-4/h9-18H,5-8H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyMKCNLAJCBIBNJX-UHFFFAOYSA-N
XLogP6.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
2-[[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 177026753
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
1-hydroxy-3-[4-[4-[[hydroxy(pentan-3-yl)carbamoyl]amino]phenoxy]phenyl]-1-pentan-3-ylurea
CID 15490931
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
2-ethyl-N-[4-(3-methoxyanilino)phenyl]butanamide
CID 112987415

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide (CID 1000871) is 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(CC)CC)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide?
The InChIKey is MKCNLAJCBIBNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-17(6-2)23(27)25-19-9-13-21(14-10-19)29-22-15-11-20(12-16-22)26-24(28)18(7-3)8-4/h9-18H,5-8H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide?
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide has a molecular weight of 396.53 g/mol, XLogP of 6.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide is sourced from PubChem (CID 1000871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).