1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea

C21H23N3O3 — CID 56505658

IUPAC1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCOCCOc1ccc(CNC(=O)Nc2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-13-14-27-20-9-7-17(8-10-20)16-22-21(25)23-18-5-4-6-19(15-18)24-11-2-3-12-24/h2-12,15H,13-14,16H2,1H3,(H2,22,23,25)
InChIKeyBMHCBCOKQFXRCA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.82
Rot. Bonds8

About 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea

1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56505658) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56505658
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCOCCOc1ccc(CNC(=O)Nc2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-13-14-27-20-9-7-17(8-10-20)16-22-21(25)23-18-5-4-6-19(15-18)24-11-2-3-12-24/h2-12,15H,13-14,16H2,1H3,(H2,22,23,25)
InChIKeyBMHCBCOKQFXRCA-UHFFFAOYSA-N
XLogP3.82
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 38283099
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
ethyl 1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 47042107
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea (CID 56505658) is 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea is COCCOc1ccc(CNC(=O)Nc2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is BMHCBCOKQFXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-13-14-27-20-9-7-17(8-10-20)16-22-21(25)23-18-5-4-6-19(15-18)24-11-2-3-12-24/h2-12,15H,13-14,16H2,1H3,(H2,22,23,25).
What are the key properties of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea?
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 365.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56505658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).