N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide

C22H29N3O3 — CID 132605819

IUPACN-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide
SMILESC=CCN(C(C(=O)NC1CCCCC1)C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H29N3O3/c1-4-14-24(25-21(27)17-12-8-9-13-18(17)22(25)28)19(15(2)3)20(26)23-16-10-6-5-7-11-16/h4,8-9,12-13,15-16,19H,1,5-7,10-11,14H2,2-3H3,(H,23,26)
InChIKeyYOXFYGCLKGFPPN-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.16
Rot. Bonds7

About N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide

N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide (PubChem CID 132605819) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide
PubChem CID132605819
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide
SMILESC=CCN(C(C(=O)NC1CCCCC1)C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H29N3O3/c1-4-14-24(25-21(27)17-12-8-9-13-18(17)22(25)28)19(15(2)3)20(26)23-16-10-6-5-7-11-16/h4,8-9,12-13,15-16,19H,1,5-7,10-11,14H2,2-3H3,(H,23,26)
InChIKeyYOXFYGCLKGFPPN-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide?
The IUPAC name of N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide (CID 132605819) is N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide is C=CCN(C(C(=O)NC1CCCCC1)C(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide?
The InChIKey is YOXFYGCLKGFPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-14-24(25-21(27)17-12-8-9-13-18(17)22(25)28)19(15(2)3)20(26)23-16-10-6-5-7-11-16/h4,8-9,12-13,15-16,19H,1,5-7,10-11,14H2,2-3H3,(H,23,26).
What are the key properties of N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide?
N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide has a molecular weight of 383.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide is sourced from PubChem (CID 132605819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).