(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C24H26N2O3 — CID 2666747

IUPAC(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NCC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N2O3/c27-22(25-16-18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)26-23(28)19-13-7-8-14-20(19)24(26)29/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,25,27)/t21-/m0/s1
InChIKeySCKVNTJOCUFJAL-NRFANRHFSA-N
MW390.48 g/mol
LogP3.59
Rot. Bonds6

About (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 2666747) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID2666747
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NCC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N2O3/c27-22(25-16-18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)26-23(28)19-13-7-8-14-20(19)24(26)29/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,25,27)/t21-/m0/s1
InChIKeySCKVNTJOCUFJAL-NRFANRHFSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 42939591
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 2666747) is (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is O=C(NCC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is SCKVNTJOCUFJAL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22(25-16-18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)26-23(28)19-13-7-8-14-20(19)24(26)29/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,25,27)/t21-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2666747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).