N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide

C15H22N2O3 — CID 99927104

IUPACN-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C15H22N2O3/c1-16-9-5-7-13(16)14(18)15(19)17(2)10-8-12-6-3-4-11-20-12/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVNNUSNMEQKPSAG-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide

N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide (PubChem CID 99927104) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
PubChem CID99927104
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C15H22N2O3/c1-16-9-5-7-13(16)14(18)15(19)17(2)10-8-12-6-3-4-11-20-12/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVNNUSNMEQKPSAG-GFCCVEGCSA-N
XLogP1.63
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110614254
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide
CID 110604888

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide?
The IUPAC name of N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide (CID 99927104) is N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide.
What is the SMILES notation for N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide?
The canonical SMILES for N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide is CN(CC[C@H]1CCCCO1)C(=O)C(=O)c1cccn1C.
What is the InChIKey of N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide?
The InChIKey is VNNUSNMEQKPSAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-9-5-7-13(16)14(18)15(19)17(2)10-8-12-6-3-4-11-20-12/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide?
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide is sourced from PubChem (CID 99927104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).