N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide

C23H29ClN2O3 — CID 17174596

IUPACN-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H29ClN2O3/c1-6-7-21(27)25-17-10-13-19(24)20(14-17)26-22(28)15(2)29-18-11-8-16(9-12-18)23(3,4)5/h8-15H,6-7H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyNNMYWWIFZBIGHP-UHFFFAOYSA-N
MW416.95 g/mol
LogP5.78
Rot. Bonds7

About N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide

N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide (PubChem CID 17174596) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
PubChem CID17174596
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC NameN-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H29ClN2O3/c1-6-7-21(27)25-17-10-13-19(24)20(14-17)26-22(28)15(2)29-18-11-8-16(9-12-18)23(3,4)5/h8-15H,6-7H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyNNMYWWIFZBIGHP-UHFFFAOYSA-N
XLogP5.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174576
N-[3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-chlorophenyl]butanamide
CID 4512219
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 3252101
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide (CID 17174596) is N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide?
The InChIKey is NNMYWWIFZBIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-6-7-21(27)25-17-10-13-19(24)20(14-17)26-22(28)15(2)29-18-11-8-16(9-12-18)23(3,4)5/h8-15H,6-7H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide?
N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide has a molecular weight of 416.95 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 17174596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).