2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide

C19H31NO3 — CID 78821540

IUPAC2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCCO)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO3/c1-18(2,3)14-8-9-16(15(12-14)19(4,5)6)23-13-17(22)20-10-7-11-21/h8-9,12,21H,7,10-11,13H2,1-6H3,(H,20,22)
InChIKeyFMQSROCOXVSCEO-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.16
Rot. Bonds6

About 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide

2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide (PubChem CID 78821540) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
PubChem CID78821540
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCCO)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO3/c1-18(2,3)14-8-9-16(15(12-14)19(4,5)6)23-13-17(22)20-10-7-11-21/h8-9,12,21H,7,10-11,13H2,1-6H3,(H,20,22)
InChIKeyFMQSROCOXVSCEO-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.16
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

2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 43416535
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
N-(3-hydroxypropyl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(3-hydroxypropylamino)-2-oxoethoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetamide
CID 101394740

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide (CID 78821540) is 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide is CC(C)(C)c1ccc(OCC(=O)NCCCO)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide?
The InChIKey is FMQSROCOXVSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(2,3)14-8-9-16(15(12-14)19(4,5)6)23-13-17(22)20-10-7-11-21/h8-9,12,21H,7,10-11,13H2,1-6H3,(H,20,22).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide?
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide has a molecular weight of 321.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 78821540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).