[2-(dicyclohexylcarbamoyl)phenyl] acetate

C21H29NO3 — CID 2993116

IUPAC[2-(dicyclohexylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H29NO3/c1-16(23)25-20-15-9-8-14-19(20)21(24)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13H2,1H3
InChIKeyJCEISYRKKVMCPW-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.72
Rot. Bonds4

About [2-(dicyclohexylcarbamoyl)phenyl] acetate

[2-(dicyclohexylcarbamoyl)phenyl] acetate (PubChem CID 2993116) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [2-(dicyclohexylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(dicyclohexylcarbamoyl)phenyl] acetate
PubChem CID2993116
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[2-(dicyclohexylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H29NO3/c1-16(23)25-20-15-9-8-14-19(20)21(24)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13H2,1H3
InChIKeyJCEISYRKKVMCPW-UHFFFAOYSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2-(Acetyloxy)benzamide
CID 79747
2-Methoxy-N,N-dimethylbenzamide
CID 11159646
3-(4-Benzoylpiperazine-1-carbonyl)coumarin
CID 1143426
2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
2-{[(2-Methoxy-1-methylethyl)amino]carbonyl}phenyl acetate
CID 2905306
Biphenyl-4-carboxylic acid (2,2-dimethyl-2H-chromen-8-ylmethyl)-isopropyl-amide
CID 44403670
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
3'-(1-Piperidinylcarbonyl)-4-biphenylyl acetate
CID 886535

Frequently Asked Questions

What is the IUPAC name of [2-(dicyclohexylcarbamoyl)phenyl] acetate?
The IUPAC name of [2-(dicyclohexylcarbamoyl)phenyl] acetate (CID 2993116) is [2-(dicyclohexylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2-(dicyclohexylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2-(dicyclohexylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-(dicyclohexylcarbamoyl)phenyl] acetate?
The InChIKey is JCEISYRKKVMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-16(23)25-20-15-9-8-14-19(20)21(24)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13H2,1H3.
What are the key properties of [2-(dicyclohexylcarbamoyl)phenyl] acetate?
[2-(dicyclohexylcarbamoyl)phenyl] acetate has a molecular weight of 343.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclohexylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 2993116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).