1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide

C16H24N2O3 — CID 164634615

IUPAC1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
SMILESCC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn1C
InChIInChI=1S/C16H24N2O3/c1-12(2)6-10-21-15-11-20-9-7-13(15)17-16(19)14-5-4-8-18(14)3/h4-6,8,13,15H,7,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyFOHOGRGUXOMPPB-ZFWWWQNUSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds5

About 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide

1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide (PubChem CID 164634615) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
PubChem CID164634615
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
SMILESCC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn1C
InChIInChI=1S/C16H24N2O3/c1-12(2)6-10-21-15-11-20-9-7-13(15)17-16(19)14-5-4-8-18(14)3/h4-6,8,13,15H,7,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyFOHOGRGUXOMPPB-ZFWWWQNUSA-N
XLogP1.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91786689
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
CID 91774051
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91769067
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-5-carboxamide
CID 91772333
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
CID 91783338
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
CID 164630030
3-imidazo[1,2-a]pyridin-2-yl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]propanamide
CID 91794310
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-pyrrolidin-1-ylbenzamide
CID 91767668

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide (CID 164634615) is 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide is CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide?
The InChIKey is FOHOGRGUXOMPPB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)6-10-21-15-11-20-9-7-13(15)17-16(19)14-5-4-8-18(14)3/h4-6,8,13,15H,7,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 164634615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).