N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide

C23H23N3O3 — CID 166410658

IUPACN-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1
InChIInChI=1S/C23H23N3O3/c1-2-20(27)24-16-8-6-7-15(13-16)21(28)25-17-9-10-19-18(14-17)23(22(29)26-19)11-4-3-5-12-23/h2,6-10,13-14H,1,3-5,11-12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeySMSSFSGNMDVPSY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.22
Rot. Bonds4

About N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide

N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide (PubChem CID 166410658) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
PubChem CID166410658
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1
InChIInChI=1S/C23H23N3O3/c1-2-20(27)24-16-8-6-7-15(13-16)21(28)25-17-9-10-19-18(14-17)23(22(29)26-19)11-4-3-5-12-23/h2,6-10,13-14H,1,3-5,11-12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeySMSSFSGNMDVPSY-UHFFFAOYSA-N
XLogP4.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405595
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)thiophene-2-carboxamide
CID 110405577
N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
CID 166410659
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
2,2-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405573
2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589
2-(4-fluorophenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)acetamide
CID 110405600
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912
3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405531
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
CID 110619936

Frequently Asked Questions

What is the IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide (CID 166410658) is N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1.
What is the InChIKey of N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide?
The InChIKey is SMSSFSGNMDVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-20(27)24-16-8-6-7-15(13-16)21(28)25-17-9-10-19-18(14-17)23(22(29)26-19)11-4-3-5-12-23/h2,6-10,13-14H,1,3-5,11-12H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide?
N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166410658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).