N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide

C24H29N3O — CID 118610816

IUPACN-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CC3(CN(C/C=C/c4ccccc4)C3)C2)c1
InChIInChI=1S/C24H29N3O/c1-20-7-5-11-22(15-20)25-23(28)12-14-27-18-24(19-27)16-26(17-24)13-6-10-21-8-3-2-4-9-21/h2-11,15H,12-14,16-19H2,1H3,(H,25,28)/b10-6+
InChIKeyGILIGIVDPUWLME-UXBLZVDNSA-N
MW375.52 g/mol
LogP3.65
Rot. Bonds7

About N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide

N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide (PubChem CID 118610816) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide
PubChem CID118610816
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CC3(CN(C/C=C/c4ccccc4)C3)C2)c1
InChIInChI=1S/C24H29N3O/c1-20-7-5-11-22(15-20)25-23(28)12-14-27-18-24(19-27)16-26(17-24)13-6-10-21-8-3-2-4-9-21/h2-11,15H,12-14,16-19H2,1H3,(H,25,28)/b10-6+
InChIKeyGILIGIVDPUWLME-UXBLZVDNSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603
(E)-3-(3-chlorophenyl)prop-2-enal;3-[4-[(E)-3-(3-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide;N-(3-methylphenyl)-3-piperazin-1-ylpropanamide
CID 158567808
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 146223900
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide
CID 1413521
1-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]-3-(3-methylphenyl)urea
CID 42704032
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide (CID 118610816) is N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide is Cc1cccc(NC(=O)CCN2CC3(CN(C/C=C/c4ccccc4)C3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide?
The InChIKey is GILIGIVDPUWLME-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H29N3O/c1-20-7-5-11-22(15-20)25-23(28)12-14-27-18-24(19-27)16-26(17-24)13-6-10-21-8-3-2-4-9-21/h2-11,15H,12-14,16-19H2,1H3,(H,25,28)/b10-6+.
What are the key properties of N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide?
N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide has a molecular weight of 375.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide is sourced from PubChem (CID 118610816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).