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

C23H30N2O3 — CID 17202560

IUPACN-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-7-21(26)24-18-10-12-19(13-11-18)25-22(27)16(2)28-20-14-8-17(9-15-20)23(3,4)5/h8-16H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyKYRLQNKFWFMHBM-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.13
Rot. Bonds7

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

N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide (PubChem CID 17202560) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
PubChem CID17202560
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-7-21(26)24-18-10-12-19(13-11-18)25-22(27)16(2)28-20-14-8-17(9-15-20)23(3,4)5/h8-16H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyKYRLQNKFWFMHBM-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174596
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide?
The IUPAC name of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide (CID 17202560) is N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide?
The InChIKey is KYRLQNKFWFMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-7-21(26)24-18-10-12-19(13-11-18)25-22(27)16(2)28-20-14-8-17(9-15-20)23(3,4)5/h8-16H,6-7H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide?
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide is sourced from PubChem (CID 17202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).