N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide

C23H25N3O4 — CID 90967789

IUPACN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide
SMILESO=C1COC2CCN(C(=O)C(CC3CC3)NC(=O)n3ccc(-c4ccccc4)c3)C12
InChIInChI=1S/C23H25N3O4/c27-19-14-30-20-9-11-26(21(19)20)22(28)18(12-15-6-7-15)24-23(29)25-10-8-17(13-25)16-4-2-1-3-5-16/h1-5,8,10,13,15,18,20-21H,6-7,9,11-12,14H2,(H,24,29)
InChIKeyYCOCAEZJXLBYKX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.45
Rot. Bonds5

About N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide

N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide (PubChem CID 90967789) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide
PubChem CID90967789
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide
SMILESO=C1COC2CCN(C(=O)C(CC3CC3)NC(=O)n3ccc(-c4ccccc4)c3)C12
InChIInChI=1S/C23H25N3O4/c27-19-14-30-20-9-11-26(21(19)20)22(28)18(12-15-6-7-15)24-23(29)25-10-8-17(13-25)16-4-2-1-3-5-16/h1-5,8,10,13,15,18,20-21H,6-7,9,11-12,14H2,(H,24,29)
InChIKeyYCOCAEZJXLBYKX-UHFFFAOYSA-N
XLogP2.45
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-cyclohexyl-1-oxopropan-2-yl]benzamide;methane;sulfane
CID 159475204
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 90703745
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 69051102
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-2-phenylacetamide
CID 69327933
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 59791716
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-phenylacetamide;sulfane
CID 158366265
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69050177
N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide
CID 91262379
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-4-phenylbenzamide
CID 72563054
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
CID 69310345
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 91130262

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide (CID 90967789) is N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide is O=C1COC2CCN(C(=O)C(CC3CC3)NC(=O)n3ccc(-c4ccccc4)c3)C12.
What is the InChIKey of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide?
The InChIKey is YCOCAEZJXLBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-19-14-30-20-9-11-26(21(19)20)22(28)18(12-15-6-7-15)24-23(29)25-10-8-17(13-25)16-4-2-1-3-5-16/h1-5,8,10,13,15,18,20-21H,6-7,9,11-12,14H2,(H,24,29).
What are the key properties of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide?
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide is sourced from PubChem (CID 90967789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).