(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide

C19H27N3O2 — CID 98874802

IUPAC(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1C[C@H](Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CN1C1CC1
InChIInChI=1S/C19H27N3O2/c1-13-11-16(12-22(13)17-8-9-17)20-14-4-6-15(7-5-14)21-19(23)18-3-2-10-24-18/h4-7,13,16-18,20H,2-3,8-12H2,1H3,(H,21,23)/t13-,16+,18-/m1/s1
InChIKeyOKVPTSPRCRIKBR-RPVQJOFSSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds5

About (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 98874802) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide
PubChem CID98874802
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1C[C@H](Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CN1C1CC1
InChIInChI=1S/C19H27N3O2/c1-13-11-16(12-22(13)17-8-9-17)20-14-4-6-15(7-5-14)21-19(23)18-3-2-10-24-18/h4-7,13,16-18,20H,2-3,8-12H2,1H3,(H,21,23)/t13-,16+,18-/m1/s1
InChIKeyOKVPTSPRCRIKBR-RPVQJOFSSA-N
XLogP2.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-phenyloxolane-2-carboxamide
CID 3453643
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide (CID 98874802) is (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide is C[C@@H]1C[C@H](Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CN1C1CC1.
What is the InChIKey of (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is OKVPTSPRCRIKBR-RPVQJOFSSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-11-16(12-22(13)17-8-9-17)20-14-4-6-15(7-5-14)21-19(23)18-3-2-10-24-18/h4-7,13,16-18,20H,2-3,8-12H2,1H3,(H,21,23)/t13-,16+,18-/m1/s1.
What are the key properties of (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 98874802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).