N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide

C14H22N2O3 — CID 91780552

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-7-11(10(2)16(9)3)14(17)15-12-5-6-19-8-13(12)18-4/h7,12-13H,5-6,8H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyKVXJRFPHDIOLJP-CHWSQXEVSA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds3

About N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 91780552) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID91780552
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-7-11(10(2)16(9)3)14(17)15-12-5-6-19-8-13(12)18-4/h7,12-13H,5-6,8H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyKVXJRFPHDIOLJP-CHWSQXEVSA-N
XLogP1.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91792914
1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
CID 91779011
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
2-(oxan-4-yloxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61288603
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
CID 164630095

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 91780552) is N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is KVXJRFPHDIOLJP-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-11(10(2)16(9)3)14(17)15-12-5-6-19-8-13(12)18-4/h7,12-13H,5-6,8H2,1-4H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 91780552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).