phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate

C24H25N3O5 — CID 108571993

IUPACphenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Oc1ccccc1
InChIInChI=1S/C24H25N3O5/c28-21(25-13-14-26-24(31)32-18-9-5-2-6-10-18)16-11-12-19-20(15-16)23(30)27(22(19)29)17-7-3-1-4-8-17/h2,5-6,9-12,15,17H,1,3-4,7-8,13-14H2,(H,25,28)(H,26,31)
InChIKeyFDPANRDGXFEXDJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.13
Rot. Bonds6

About phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate

phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate (PubChem CID 108571993) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
PubChem CID108571993
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namephenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Oc1ccccc1
InChIInChI=1S/C24H25N3O5/c28-21(25-13-14-26-24(31)32-18-9-5-2-6-10-18)16-11-12-19-20(15-16)23(30)27(22(19)29)17-7-3-1-4-8-17/h2,5-6,9-12,15,17H,1,3-4,7-8,13-14H2,(H,25,28)(H,26,31)
InChIKeyFDPANRDGXFEXDJ-UHFFFAOYSA-N
XLogP3.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
2-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538044
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
phenyl N-[2-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571775
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
[4-[[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930967
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate (CID 108571993) is phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate is O=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate?
The InChIKey is FDPANRDGXFEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-21(25-13-14-26-24(31)32-18-9-5-2-6-10-18)16-11-12-19-20(15-16)23(30)27(22(19)29)17-7-3-1-4-8-17/h2,5-6,9-12,15,17H,1,3-4,7-8,13-14H2,(H,25,28)(H,26,31).
What are the key properties of phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate?
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).