N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide

C15H18N2O2 — CID 157288179

IUPACN-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide
SMILESCOCCN1CC(NC(=O)C2=C3C=CC=C3C=C2)C1
InChIInChI=1S/C15H18N2O2/c1-19-8-7-17-9-12(10-17)16-15(18)14-6-5-11-3-2-4-13(11)14/h2-6,12H,7-10H2,1H3,(H,16,18)
InChIKeyBAMHZCAAURDPHD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds5

About N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide

N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide (PubChem CID 157288179) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide
PubChem CID157288179
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide
SMILESCOCCN1CC(NC(=O)C2=C3C=CC=C3C=C2)C1
InChIInChI=1S/C15H18N2O2/c1-19-8-7-17-9-12(10-17)16-15(18)14-6-5-11-3-2-4-13(11)14/h2-6,12H,7-10H2,1H3,(H,16,18)
InChIKeyBAMHZCAAURDPHD-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
CID 158684204
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 136512530
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133031
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 164640969
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide (CID 157288179) is N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide is COCCN1CC(NC(=O)C2=C3C=CC=C3C=C2)C1.
What is the InChIKey of N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide?
The InChIKey is BAMHZCAAURDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-8-7-17-9-12(10-17)16-15(18)14-6-5-11-3-2-4-13(11)14/h2-6,12H,7-10H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide?
N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide is sourced from PubChem (CID 157288179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).