1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea

C20H25N3O4 — CID 2983049

IUPAC1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)14-9-11-15(12-10-14)27-13-18(24)22-23-19(25)21-16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyIMRQSTDYBISSBI-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.22
Rot. Bonds5

About 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea

1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea (PubChem CID 2983049) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea
PubChem CID2983049
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)14-9-11-15(12-10-14)27-13-18(24)22-23-19(25)21-16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyIMRQSTDYBISSBI-UHFFFAOYSA-N
XLogP3.22
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 107680223
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
CID 25237331
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea (CID 2983049) is 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea?
The InChIKey is IMRQSTDYBISSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,3)14-9-11-15(12-10-14)27-13-18(24)22-23-19(25)21-16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea?
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea has a molecular weight of 371.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2983049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).