1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea

C20H21N3O3 — CID 42951445

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
SMILESCc1ccc(C(=O)NNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-8-10-15(11-9-13)19(24)21-22-20(25)23(3)14(2)18-12-16-6-4-5-7-17(16)26-18/h4-12,14H,1-3H3,(H,21,24)(H,22,25)
InChIKeyIYOQGWXVWVAWOU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.79
Rot. Bonds3

About 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea (PubChem CID 42951445) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
PubChem CID42951445
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
SMILESCc1ccc(C(=O)NNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-8-10-15(11-9-13)19(24)21-22-20(25)23(3)14(2)18-12-16-6-4-5-7-17(16)26-18/h4-12,14H,1-3H3,(H,21,24)(H,22,25)
InChIKeyIYOQGWXVWVAWOU-UHFFFAOYSA-N
XLogP3.79
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
CID 42951446
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(1-methylindole-3-carbonyl)amino]urea
CID 25345057
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46550961
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934942
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea (CID 42951445) is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea is Cc1ccc(C(=O)NNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea?
The InChIKey is IYOQGWXVWVAWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-8-10-15(11-9-13)19(24)21-22-20(25)23(3)14(2)18-12-16-6-4-5-7-17(16)26-18/h4-12,14H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea has a molecular weight of 351.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea is sourced from PubChem (CID 42951445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).