2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide

C19H23N3O3 — CID 124591805

IUPAC2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H23N3O3/c1-13(20-19(24)17-8-11-25-14(17)2)18(23)21-15-6-5-7-16(12-15)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyKMYVIUVNDVBYCA-ZDUSSCGKSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide

2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide (PubChem CID 124591805) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
PubChem CID124591805
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H23N3O3/c1-13(20-19(24)17-8-11-25-14(17)2)18(23)21-15-6-5-7-16(12-15)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyKMYVIUVNDVBYCA-ZDUSSCGKSA-N
XLogP2.95
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
CID 124591800
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide (CID 124591805) is 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide is Cc1occc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide?
The InChIKey is KMYVIUVNDVBYCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(20-19(24)17-8-11-25-14(17)2)18(23)21-15-6-5-7-16(12-15)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide?
2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 124591805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).