1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea

C20H24N2O2 — CID 100694624

IUPAC1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C20H24N2O2/c1-13-4-6-18(10-14(13)2)22-20(23)21-15(3)11-16-5-7-19-17(12-16)8-9-24-19/h4-7,10,12,15H,8-9,11H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyVJJRDTDNXQNCIP-HNNXBMFYSA-N
MW324.42 g/mol
LogP3.99
Rot. Bonds4

About 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea

1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea (PubChem CID 100694624) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
PubChem CID100694624
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C20H24N2O2/c1-13-4-6-18(10-14(13)2)22-20(23)21-15(3)11-16-5-7-19-17(12-16)8-9-24-19/h4-7,10,12,15H,8-9,11H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyVJJRDTDNXQNCIP-HNNXBMFYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
CID 30886416
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379938
(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
CID 100692970
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
CID 91813566
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea (CID 100694624) is 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is VJJRDTDNXQNCIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-4-6-18(10-14(13)2)22-20(23)21-15(3)11-16-5-7-19-17(12-16)8-9-24-19/h4-7,10,12,15H,8-9,11H2,1-3H3,(H2,21,22,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea?
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 324.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 100694624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).