N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide

C18H26N2O3 — CID 91783338

IUPACN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccn1C1CC1
InChIInChI=1S/C18H26N2O3/c21-18(16-5-2-9-20(16)14-6-7-14)19-15-8-10-22-12-17(15)23-11-13-3-1-4-13/h2,5,9,13-15,17H,1,3-4,6-8,10-12H2,(H,19,21)/t15-,17-/m1/s1
InChIKeyPOTFDINWAPDVOC-NVXWUHKLSA-N
MW318.42 g/mol
LogP2.53
Rot. Bonds6

About N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 91783338) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID91783338
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccn1C1CC1
InChIInChI=1S/C18H26N2O3/c21-18(16-5-2-9-20(16)14-6-7-14)19-15-8-10-22-12-17(15)23-11-13-3-1-4-13/h2,5,9,13-15,17H,1,3-4,6-8,10-12H2,(H,19,21)/t15-,17-/m1/s1
InChIKeyPOTFDINWAPDVOC-NVXWUHKLSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
CID 164634615
1-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-2-carboxamide
CID 91795007
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
CID 91767604
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
CID 156608390
1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135093627
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 91783447
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide (CID 91783338) is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccn1C1CC1.
What is the InChIKey of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is POTFDINWAPDVOC-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(16-5-2-9-20(16)14-6-7-14)19-15-8-10-22-12-17(15)23-11-13-3-1-4-13/h2,5,9,13-15,17H,1,3-4,6-8,10-12H2,(H,19,21)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide?
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 91783338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).