N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide

C21H26N2O3 — CID 17202534

IUPACN-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-7-19(24)22-17-10-12-18(13-11-17)23-21(25)16(4)26-20-14(2)8-6-9-15(20)3/h6,8-13,16H,5,7H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPXVDFRRFXOSIQN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.45
Rot. Bonds7

About N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide

N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide (PubChem CID 17202534) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
PubChem CID17202534
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-7-19(24)22-17-10-12-18(13-11-17)23-21(25)16(4)26-20-14(2)8-6-9-15(20)3/h6,8-13,16H,5,7H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPXVDFRRFXOSIQN-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
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
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide?
The IUPAC name of N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide (CID 17202534) is N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1.
What is the InChIKey of N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide?
The InChIKey is PXVDFRRFXOSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-7-19(24)22-17-10-12-18(13-11-17)23-21(25)16(4)26-20-14(2)8-6-9-15(20)3/h6,8-13,16H,5,7H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide?
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide has a molecular weight of 354.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide is sourced from PubChem (CID 17202534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).