1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea

C25H30N4O3 — CID 59714393

IUPAC1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-16-15-18(32-3)13-14-20(16)26-25(31)28-23-24(30)29(2)21-12-8-7-11-19(21)22(27-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,26,28,31)
InChIKeyOIIIPCZECLMXEY-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.50
Rot. Bonds4

About 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea

1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 59714393) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID59714393
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-16-15-18(32-3)13-14-20(16)26-25(31)28-23-24(30)29(2)21-12-8-7-11-19(21)22(27-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,26,28,31)
InChIKeyOIIIPCZECLMXEY-UHFFFAOYSA-N
XLogP4.50
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(2-methoxyphenyl)thiourea
CID 59714066
5-[[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamoylamino]-2-methyl-N-methylsulfonylbenzamide
CID 54066205
1-(4-bromo-2-methylphenyl)-3-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 97303536
1-(4-chloro-2-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
CID 154812394
1-[(3R)-5-(cyclohexylamino)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
CID 70196789
N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
CID 134090589
1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 25386143
1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea
CID 10188438
2-[2-[(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-2-oxoethyl]-2-prop-2-enylpent-4-enoic acid;2-methylpropane
CID 142099917
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(2-phenylphenyl)urea
CID 59714426
1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
CID 10364786
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea (CID 59714393) is 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c(C)c1.
What is the InChIKey of 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is OIIIPCZECLMXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-15-18(32-3)13-14-20(16)26-25(31)28-23-24(30)29(2)21-12-8-7-11-19(21)22(27-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,26,28,31).
What are the key properties of 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea?
1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 434.54 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 59714393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).