N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide

C20H28N2O2 — CID 15338414

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCc1ccc(C(=O)NCCC23CCCN2CCC3)c2c1CCCO2
InChIInChI=1S/C20H28N2O2/c1-15-6-7-17(18-16(15)5-2-14-24-18)19(23)21-11-10-20-8-3-12-22(20)13-4-9-20/h6-7H,2-5,8-14H2,1H3,(H,21,23)
InChIKeyNSWLPYANWSPUJV-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 15338414) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID15338414
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCc1ccc(C(=O)NCCC23CCCN2CCC3)c2c1CCCO2
InChIInChI=1S/C20H28N2O2/c1-15-6-7-17(18-16(15)5-2-14-24-18)19(23)21-11-10-20-8-3-12-22(20)13-4-9-20/h6-7H,2-5,8-14H2,1H3,(H,21,23)
InChIKeyNSWLPYANWSPUJV-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-[8-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylcarbamoyl]-5-methyl-3,4-dihydro-2H-chromen-2-yl]but-2-enedioic acid
CID 70078338
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
CID 91773288
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
CID 91790621
4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
CID 91795547
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 91776864
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
CID 166306826
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
8-fluoro-5-methyl-3,4-dihydro-2H-chromene
CID 66604057
N-[[(4S)-3-hydroxy-1-[4-(methylamino)butyl]piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 70949459
4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139719681
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 19780199

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide (CID 15338414) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide is Cc1ccc(C(=O)NCCC23CCCN2CCC3)c2c1CCCO2.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is NSWLPYANWSPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-6-7-17(18-16(15)5-2-14-24-18)19(23)21-11-10-20-8-3-12-22(20)13-4-9-20/h6-7H,2-5,8-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5-methyl-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 15338414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).