2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide

C20H25N3O3 — CID 55509327

IUPAC2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-18(24)22-12-14-4-8-16(9-5-14)23-19(21)25/h4-11H,12-13H2,1-3H3,(H,22,24)(H3,21,23,25)
InChIKeyILPJMJYSSVWCSZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide

2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide (PubChem CID 55509327) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
PubChem CID55509327
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-18(24)22-12-14-4-8-16(9-5-14)23-19(21)25/h4-11H,12-13H2,1-3H3,(H,22,24)(H3,21,23,25)
InChIKeyILPJMJYSSVWCSZ-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide (CID 55509327) is 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCc2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide?
The InChIKey is ILPJMJYSSVWCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-18(24)22-12-14-4-8-16(9-5-14)23-19(21)25/h4-11H,12-13H2,1-3H3,(H,22,24)(H3,21,23,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide?
2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 55509327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).