[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate

C24H29N3O4 — CID 10526294

IUPAC[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)NCC3CCCCC3)ccc2C)cc1
InChIInChI=1S/C24H29N3O4/c1-16-8-11-20(26-24(30)25-15-18-6-4-3-5-7-18)14-22(16)27-23(29)19-9-12-21(13-10-19)31-17(2)28/h8-14,18H,3-7,15H2,1-2H3,(H,27,29)(H2,25,26,30)
InChIKeyWRSOOWJYWFMGQW-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.87
Rot. Bonds6

About [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate

[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate (PubChem CID 10526294) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate
PubChem CID10526294
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)NCC3CCCCC3)ccc2C)cc1
InChIInChI=1S/C24H29N3O4/c1-16-8-11-20(26-24(30)25-15-18-6-4-3-5-7-18)14-22(16)27-23(29)19-9-12-21(13-10-19)31-17(2)28/h8-14,18H,3-7,15H2,1-2H3,(H,27,29)(H2,25,26,30)
InChIKeyWRSOOWJYWFMGQW-UHFFFAOYSA-N
XLogP4.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate with MolForge

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Related Compounds

[4-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519
N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
CID 18343685
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate (CID 10526294) is [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)NCC3CCCCC3)ccc2C)cc1.
What is the InChIKey of [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate?
The InChIKey is WRSOOWJYWFMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-8-11-20(26-24(30)25-15-18-6-4-3-5-7-18)14-22(16)27-23(29)19-9-12-21(13-10-19)31-17(2)28/h8-14,18H,3-7,15H2,1-2H3,(H,27,29)(H2,25,26,30).
What are the key properties of [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate?
[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate has a molecular weight of 423.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 10526294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).