N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

C23H23N3O4 — CID 39280369

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C23H23N3O4/c24-20(27)12-14-6-9-16(10-7-14)25-21(28)15-8-11-18-19(13-15)23(30)26(22(18)29)17-4-2-1-3-5-17/h6-11,13,17H,1-5,12H2,(H2,24,27)(H,25,28)
InChIKeyPMORZCGNNBUYBC-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39280369) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID39280369
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C23H23N3O4/c24-20(27)12-14-6-9-16(10-7-14)25-21(28)15-8-11-18-19(13-15)23(30)26(22(18)29)17-4-2-1-3-5-17/h6-11,13,17H,1-5,12H2,(H2,24,27)(H,25,28)
InChIKeyPMORZCGNNBUYBC-UHFFFAOYSA-N
XLogP2.90
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 26289841
2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 8502606
2-[3-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764239
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]isoindole-5-carboxamide
CID 108933259
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(1-amino-2-methylpropan-2-yl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119522353
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (CID 39280369) is N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PMORZCGNNBUYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c24-20(27)12-14-6-9-16(10-7-14)25-21(28)15-8-11-18-19(13-15)23(30)26(22(18)29)17-4-2-1-3-5-17/h6-11,13,17H,1-5,12H2,(H2,24,27)(H,25,28).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39280369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).