N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide

C22H33NO2 — CID 39309555

IUPACN-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
SMILESCC(=O)N(CC[C@@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C22H33NO2/c1-17(24)23(20-12-15-25-21(2,3)16-20)14-13-22(4,19-10-11-19)18-8-6-5-7-9-18/h5-9,19-20H,10-16H2,1-4H3/t20-,22+/m1/s1
InChIKeyDIYDHMDCFFPHKX-IRLDBZIGSA-N
MW343.51 g/mol
LogP4.55
Rot. Bonds6

About N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide

N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide (PubChem CID 39309555) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
PubChem CID39309555
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC NameN-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
SMILESCC(=O)N(CC[C@@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C22H33NO2/c1-17(24)23(20-12-15-25-21(2,3)16-20)14-13-22(4,19-10-11-19)18-8-6-5-7-9-18/h5-9,19-20H,10-16H2,1-4H3/t20-,22+/m1/s1
InChIKeyDIYDHMDCFFPHKX-IRLDBZIGSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The IUPAC name of N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide (CID 39309555) is N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The canonical SMILES for N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide is CC(=O)N(CC[C@@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The InChIKey is DIYDHMDCFFPHKX-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H33NO2/c1-17(24)23(20-12-15-25-21(2,3)16-20)14-13-22(4,19-10-11-19)18-8-6-5-7-9-18/h5-9,19-20H,10-16H2,1-4H3/t20-,22+/m1/s1.
What are the key properties of N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide has a molecular weight of 343.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 39309555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).