1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea

C18H21N3O3 — CID 18871077

IUPAC1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-7-15(8-5-12)19-18(23)21-20-17(22)11-24-16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyNSGBZUIIBXRXTO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.84
Rot. Bonds4

About 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea

1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea (PubChem CID 18871077) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
PubChem CID18871077
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-7-15(8-5-12)19-18(23)21-20-17(22)11-24-16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyNSGBZUIIBXRXTO-UHFFFAOYSA-N
XLogP2.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
N-[(4-bromophenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1016495
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea (CID 18871077) is 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The InChIKey is NSGBZUIIBXRXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-7-15(8-5-12)19-18(23)21-20-17(22)11-24-16-9-6-13(2)14(3)10-16/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea has a molecular weight of 327.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea is sourced from PubChem (CID 18871077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).