1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea

C20H25N3O2 — CID 91646142

IUPAC1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1c(C)cc(N(C)C)cc1C)CO2
InChIInChI=1S/C20H25N3O2/c1-12-6-7-18-16(8-12)17(11-25-18)21-20(24)22-19-13(2)9-15(23(4)5)10-14(19)3/h6-10,17H,11H2,1-5H3,(H2,21,22,24)
InChIKeyMBAWDOIADIQFIB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea

1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea (PubChem CID 91646142) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
PubChem CID91646142
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1c(C)cc(N(C)C)cc1C)CO2
InChIInChI=1S/C20H25N3O2/c1-12-6-7-18-16(8-12)17(11-25-18)21-20(24)22-19-13(2)9-15(23(4)5)10-14(19)3/h6-10,17H,11H2,1-5H3,(H2,21,22,24)
InChIKeyMBAWDOIADIQFIB-UHFFFAOYSA-N
XLogP3.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3R,4S)-4-(4-methoxyphenyl)oxolan-3-yl]urea
CID 124093849
N-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-N'-phenylurea
CID 2742252
2-(2-Ethylphenoxy)-N-(2-methyl-4-(pyrrolidin-1-yl)phenyl)acetamide
CID 4853066
N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 44534047
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-3-(2,3-dimethylphenyl)urea
CID 71625480
N-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 2742253
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
CID 11515570
1-Chroman-3-yl-3-(2,6-diisopropyl-phenyl)-urea
CID 14555248
1-methyl-3-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]urea
CID 118473255
N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473385
1-(3,4-Dihydro-2H-1-benzopyran-3-YL)-3-(2-ethyl-6-methylphenyl)urea
CID 16030547
1-(2,6-Diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea (CID 91646142) is 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea is Cc1ccc2c(c1)C(NC(=O)Nc1c(C)cc(N(C)C)cc1C)CO2.
What is the InChIKey of 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The InChIKey is MBAWDOIADIQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-6-7-18-16(8-12)17(11-25-18)21-20(24)22-19-13(2)9-15(23(4)5)10-14(19)3/h6-10,17H,11H2,1-5H3,(H2,21,22,24).
What are the key properties of 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2,6-dimethylphenyl]-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)urea is sourced from PubChem (CID 91646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).