N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide

C19H23N3O3 — CID 166410659

IUPACN-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C19H23N3O3/c1-3-17(24)22(2)12-16(23)20-13-7-8-15-14(11-13)19(18(25)21-15)9-5-4-6-10-19/h3,7-8,11H,1,4-6,9-10,12H2,2H3,(H,20,23)(H,21,25)
InChIKeyGLMIVOVMOKXBKY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide (PubChem CID 166410659) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
PubChem CID166410659
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C19H23N3O3/c1-3-17(24)22(2)12-16(23)20-13-7-8-15-14(11-13)19(18(25)21-15)9-5-4-6-10-19/h3,7-8,11H,1,4-6,9-10,12H2,2H3,(H,20,23)(H,21,25)
InChIKeyGLMIVOVMOKXBKY-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
2-(4-fluorophenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)acetamide
CID 110405600
2,2-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405573
N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
CID 166410658
3-(4-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405638
3-(3-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405531
3,4-dimethoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405595
N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 154801047
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)thiophene-2-carboxamide
CID 110405577
2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589
N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546
N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide
CID 138037658

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide (CID 166410659) is N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide?
The InChIKey is GLMIVOVMOKXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-17(24)22(2)12-16(23)20-13-7-8-15-14(11-13)19(18(25)21-15)9-5-4-6-10-19/h3,7-8,11H,1,4-6,9-10,12H2,2H3,(H,20,23)(H,21,25).
What are the key properties of N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166410659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).