N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide

C18H23NO2 — CID 171134718

IUPACN-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
SMILESCOCCN(CC=Cc1ccccc1)C(=O)C1CC12CC2
InChIInChI=1S/C18H23NO2/c1-21-13-12-19(17(20)16-14-18(16)9-10-18)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3
InChIKeyDTDSNKGBJOEOOB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds7

About N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide

N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide (PubChem CID 171134718) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
PubChem CID171134718
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
SMILESCOCCN(CC=Cc1ccccc1)C(=O)C1CC12CC2
InChIInChI=1S/C18H23NO2/c1-21-13-12-19(17(20)16-14-18(16)9-10-18)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3
InChIKeyDTDSNKGBJOEOOB-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
CID 78960724
(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125441868
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154910283
1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126429082
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide (CID 171134718) is N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide is COCCN(CC=Cc1ccccc1)C(=O)C1CC12CC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide?
The InChIKey is DTDSNKGBJOEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-13-12-19(17(20)16-14-18(16)9-10-18)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide?
N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 171134718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).