N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide

C16H21NO2 — CID 97015367

IUPACN-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C16H21NO2/c18-16(14-6-7-14)17(15-9-11-19-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t15-/m1/s1
InChIKeyWBKDSUICRSUNAK-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.26
Rot. Bonds5

About N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide

N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide (PubChem CID 97015367) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
PubChem CID97015367
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C16H21NO2/c18-16(14-6-7-14)17(15-9-11-19-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t15-/m1/s1
InChIKeyWBKDSUICRSUNAK-OAHLLOKOSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide (CID 97015367) is N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide is O=C(C1CC1)N(CCc1ccccc1)[C@@H]1CCOC1.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide?
The InChIKey is WBKDSUICRSUNAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(14-6-7-14)17(15-9-11-19-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t15-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide?
N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 97015367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).