4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide

C25H33N3O3 — CID 23732897

IUPAC4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-18-3-5-19(6-4-18)16-27-25(30)28-17-21-9-7-20(8-10-21)15-26-24(29)22-11-13-23(31-2)14-12-22/h3-6,11-14,20-21H,7-10,15-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyALWRHMTUDBKFJR-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.04
Rot. Bonds8

About 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide

4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide (PubChem CID 23732897) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
PubChem CID23732897
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-18-3-5-19(6-4-18)16-27-25(30)28-17-21-9-7-20(8-10-21)15-26-24(29)22-11-13-23(31-2)14-12-22/h3-6,11-14,20-21H,7-10,15-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyALWRHMTUDBKFJR-UHFFFAOYSA-N
XLogP4.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
CID 23906657
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide (CID 23732897) is 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide is COc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide?
The InChIKey is ALWRHMTUDBKFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18-3-5-19(6-4-18)16-27-25(30)28-17-21-9-7-20(8-10-21)15-26-24(29)22-11-13-23(31-2)14-12-22/h3-6,11-14,20-21H,7-10,15-17H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide?
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 23732897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).