1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea

C20H27N3O — CID 23931180

IUPAC1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-4-17-10-12-19(13-11-17)21-20(24)23(15-14-22(2)3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyRBFDSKFZESVDHK-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.84
Rot. Bonds7

About 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea

1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea (PubChem CID 23931180) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
PubChem CID23931180
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-4-17-10-12-19(13-11-17)21-20(24)23(15-14-22(2)3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyRBFDSKFZESVDHK-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577554
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
2-[4-[[2-(dimethylamino)ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 86846972
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
1-benzyl-1-(2-cyanoethyl)-3-(4-methylphenyl)urea
CID 2812361
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea (CID 23931180) is 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea?
The InChIKey is RBFDSKFZESVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-17-10-12-19(13-11-17)21-20(24)23(15-14-22(2)3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea?
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea has a molecular weight of 325.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 23931180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).