4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide

C21H23N5O4 — CID 56554813

IUPAC4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C21H23N5O4/c1-14-13-24-21(29)26(14)18-6-4-3-5-17(18)25-20(28)23-12-11-22-19(27)15-7-9-16(30-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,24,29)(H2,23,25,28)
InChIKeyUWYQSPBJLPZDQV-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.03
Rot. Bonds7

About 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide

4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide (PubChem CID 56554813) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
PubChem CID56554813
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C21H23N5O4/c1-14-13-24-21(29)26(14)18-6-4-3-5-17(18)25-20(28)23-12-11-22-19(27)15-7-9-16(30-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,24,29)(H2,23,25,28)
InChIKeyUWYQSPBJLPZDQV-UHFFFAOYSA-N
XLogP2.03
TPSA117.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56554684
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 56503203
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
CID 51118537
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 56553698
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide (CID 56554813) is 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide?
The InChIKey is UWYQSPBJLPZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-13-24-21(29)26(14)18-6-4-3-5-17(18)25-20(28)23-12-11-22-19(27)15-7-9-16(30-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,24,29)(H2,23,25,28).
What are the key properties of 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide?
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide has a molecular weight of 409.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 56554813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).