(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide

C19H22N2O2 — CID 94867549

IUPAC(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)NOCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15-8-5-6-11-17(15)18-12-7-13-21(18)19(22)20-23-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeySAIBSUTYBVNYRE-GOSISDBHSA-N
MW310.40 g/mol
LogP3.97
Rot. Bonds4

About (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide

(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide (PubChem CID 94867549) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
PubChem CID94867549
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)NOCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15-8-5-6-11-17(15)18-12-7-13-21(18)19(22)20-23-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeySAIBSUTYBVNYRE-GOSISDBHSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99134606
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide (CID 94867549) is (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide is Cc1ccccc1[C@H]1CCCN1C(=O)NOCc1ccccc1.
What is the InChIKey of (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide?
The InChIKey is SAIBSUTYBVNYRE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-8-5-6-11-17(15)18-12-7-13-21(18)19(22)20-23-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide?
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 94867549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).