N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

C24H29N3O4 — CID 3495457

IUPACN-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C24H29N3O4/c1-16-8-13-21(17(2)14-16)31-15-22(28)26-27-24(30)19-9-11-20(12-10-19)25-23(29)18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDSQUKUSZTFOYJF-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide

N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (PubChem CID 3495457) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
PubChem CID3495457
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C24H29N3O4/c1-16-8-13-21(17(2)14-16)31-15-22(28)26-27-24(30)19-9-11-20(12-10-19)25-23(29)18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDSQUKUSZTFOYJF-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4504416
N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3342780
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508218
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
N-[4-[[[2-(2-methoxyphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4506581
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17356671
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
N-[4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3293927

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide (CID 3495457) is N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1.
What is the InChIKey of N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is DSQUKUSZTFOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-8-13-21(17(2)14-16)31-15-22(28)26-27-24(30)19-9-11-20(12-10-19)25-23(29)18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide?
N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 3495457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).