N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

C17H21N3O3 — CID 75536549

IUPACN-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESN#Cc1cccc(CN[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)c1
InChIInChI=1S/C17H21N3O3/c18-7-11-2-1-3-12(6-11)8-19-14-10-23-15(16(14)21)9-20-17(22)13-4-5-13/h1-3,6,13-16,19,21H,4-5,8-10H2,(H,20,22)/t14-,15-,16+/m1/s1
InChIKeyAWBDLTFKHNESNR-OAGGEKHMSA-N
MW315.37 g/mol
LogP0.30
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75536549) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75536549
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESN#Cc1cccc(CN[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)c1
InChIInChI=1S/C17H21N3O3/c18-7-11-2-1-3-12(6-11)8-19-14-10-23-15(16(14)21)9-20-17(22)13-4-5-13/h1-3,6,13-16,19,21H,4-5,8-10H2,(H,20,22)/t14-,15-,16+/m1/s1
InChIKeyAWBDLTFKHNESNR-OAGGEKHMSA-N
XLogP0.30
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[[4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 162789722
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]methanesulfonamide
CID 75536671
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536547
4-[[3-[(3-cyanophenyl)methoxy]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509737
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
3-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]benzonitrile
CID 51683301
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75536549) is N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is N#Cc1cccc(CN[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)c1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is AWBDLTFKHNESNR-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-7-11-2-1-3-12(6-11)8-19-14-10-23-15(16(14)21)9-20-17(22)13-4-5-13/h1-3,6,13-16,19,21H,4-5,8-10H2,(H,20,22)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75536549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).