(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide

C22H27NO3 — CID 52849838

IUPAC(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCOC1
InChIInChI=1S/C22H27NO3/c1-17(14-19-10-6-7-11-21(19)25-2)23(15-18-8-4-3-5-9-18)22(24)20-12-13-26-16-20/h3-11,17,20H,12-16H2,1-2H3/t17-,20-/m1/s1
InChIKeyPBUJJHXYOQDKPP-YLJYHZDGSA-N
MW353.46 g/mol
LogP3.69
Rot. Bonds7

About (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide

(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide (PubChem CID 52849838) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
PubChem CID52849838
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCOC1
InChIInChI=1S/C22H27NO3/c1-17(14-19-10-6-7-11-21(19)25-2)23(15-18-8-4-3-5-9-18)22(24)20-12-13-26-16-20/h3-11,17,20H,12-16H2,1-2H3/t17-,20-/m1/s1
InChIKeyPBUJJHXYOQDKPP-YLJYHZDGSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-3-carboxamide
CID 119309205
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
(2S)-2-[methyl-[(3S)-oxolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125120952
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
CID 65488358
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79208827
methyl (2S)-2-(N-[(3S)-oxolane-3-carbonyl]anilino)butanoate
CID 129379975

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide (CID 52849838) is (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide is COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide?
The InChIKey is PBUJJHXYOQDKPP-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(14-19-10-6-7-11-21(19)25-2)23(15-18-8-4-3-5-9-18)22(24)20-12-13-26-16-20/h3-11,17,20H,12-16H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide?
(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 52849838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).