N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide

C23H24N4O4 — CID 108874092

IUPACN-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(N)c1
InChIInChI=1S/C23H24N4O4/c1-14(28)26(18-9-5-6-15(24)12-18)23(31)25-16-10-11-19-20(13-16)22(30)27(21(19)29)17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8,24H2,1H3,(H,25,31)
InChIKeyRMBYSWXPHZHWDI-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.78
Rot. Bonds3

About N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide

N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide (PubChem CID 108874092) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
PubChem CID108874092
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(N)c1
InChIInChI=1S/C23H24N4O4/c1-14(28)26(18-9-5-6-15(24)12-18)23(31)25-16-10-11-19-20(13-16)22(30)27(21(19)29)17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8,24H2,1H3,(H,25,31)
InChIKeyRMBYSWXPHZHWDI-UHFFFAOYSA-N
XLogP3.78
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873346
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)urea
CID 108874028
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide (CID 108874092) is N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide is CC(=O)N(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The InChIKey is RMBYSWXPHZHWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14(28)26(18-9-5-6-15(24)12-18)23(31)25-16-10-11-19-20(13-16)22(30)27(21(19)29)17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8,24H2,1H3,(H,25,31).
What are the key properties of N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide is sourced from PubChem (CID 108874092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).