(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide

C21H32N2O4 — CID 124855855

IUPAC(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@H](O)C[C@H]1CCCN1C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1
InChIInChI=1S/C21H32N2O4/c1-16(24)12-19-8-5-10-23(19)21(25)22-18-7-4-6-17(13-18)14-26-15-20-9-2-3-11-27-20/h4,6-7,13,16,19-20,24H,2-3,5,8-12,14-15H2,1H3,(H,22,25)/t16-,19+,20+/m0/s1
InChIKeyBZFQRPNBXIKNCX-PWIZWCRZSA-N
MW376.50 g/mol
LogP3.54
Rot. Bonds7

About (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide

(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 124855855) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID124855855
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@H](O)C[C@H]1CCCN1C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1
InChIInChI=1S/C21H32N2O4/c1-16(24)12-19-8-5-10-23(19)21(25)22-18-7-4-6-17(13-18)14-26-15-20-9-2-3-11-27-20/h4,6-7,13,16,19-20,24H,2-3,5,8-12,14-15H2,1H3,(H,22,25)/t16-,19+,20+/m0/s1
InChIKeyBZFQRPNBXIKNCX-PWIZWCRZSA-N
XLogP3.54
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
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CID 96562652
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide (CID 124855855) is (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide is C[C@H](O)C[C@H]1CCCN1C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1.
What is the InChIKey of (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BZFQRPNBXIKNCX-PWIZWCRZSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16(24)12-19-8-5-10-23(19)21(25)22-18-7-4-6-17(13-18)14-26-15-20-9-2-3-11-27-20/h4,6-7,13,16,19-20,24H,2-3,5,8-12,14-15H2,1H3,(H,22,25)/t16-,19+,20+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide?
(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124855855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).