4-[2-(4-methylphenoxy)propanoylamino]butanamide

C14H20N2O3 — CID 56812745

IUPAC4-[2-(4-methylphenoxy)propanoylamino]butanamide
SMILESCc1ccc(OC(C)C(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-12(8-6-10)19-11(2)14(18)16-9-3-4-13(15)17/h5-8,11H,3-4,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCRLAZRDSBORKTK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds7

About 4-[2-(4-methylphenoxy)propanoylamino]butanamide

4-[2-(4-methylphenoxy)propanoylamino]butanamide (PubChem CID 56812745) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)propanoylamino]butanamide.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)propanoylamino]butanamide
PubChem CID56812745
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(4-methylphenoxy)propanoylamino]butanamide
SMILESCc1ccc(OC(C)C(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-12(8-6-10)19-11(2)14(18)16-9-3-4-13(15)17/h5-8,11H,3-4,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCRLAZRDSBORKTK-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 115627833
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
N-butyl-2-(4-carbamothioylphenoxy)propanamide
CID 43116867
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)propanoylamino]butanamide?
The IUPAC name of 4-[2-(4-methylphenoxy)propanoylamino]butanamide (CID 56812745) is 4-[2-(4-methylphenoxy)propanoylamino]butanamide.
What is the SMILES notation for 4-[2-(4-methylphenoxy)propanoylamino]butanamide?
The canonical SMILES for 4-[2-(4-methylphenoxy)propanoylamino]butanamide is Cc1ccc(OC(C)C(=O)NCCCC(N)=O)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)propanoylamino]butanamide?
The InChIKey is CRLAZRDSBORKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-7-12(8-6-10)19-11(2)14(18)16-9-3-4-13(15)17/h5-8,11H,3-4,9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 4-[2-(4-methylphenoxy)propanoylamino]butanamide?
4-[2-(4-methylphenoxy)propanoylamino]butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)propanoylamino]butanamide is sourced from PubChem (CID 56812745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).