(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide

C23H24N2O2 — CID 70341122

IUPAC(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)[C@@H]1CC(OCc2ccccc2)CN1
InChIInChI=1S/C23H24N2O2/c26-23(25-14-19-11-6-10-18-9-4-5-12-21(18)19)22-13-20(15-24-22)27-16-17-7-2-1-3-8-17/h1-12,20,22,24H,13-16H2,(H,25,26)/t20?,22-/m0/s1
InChIKeyCABIXDMQRQYKBU-IAXKEJLGSA-N
MW360.46 g/mol
LogP3.40
Rot. Bonds6

About (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide

(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 70341122) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID70341122
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)[C@@H]1CC(OCc2ccccc2)CN1
InChIInChI=1S/C23H24N2O2/c26-23(25-14-19-11-6-10-18-9-4-5-12-21(18)19)22-13-20(15-24-22)27-16-17-7-2-1-3-8-17/h1-12,20,22,24H,13-16H2,(H,25,26)/t20?,22-/m0/s1
InChIKeyCABIXDMQRQYKBU-IAXKEJLGSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116560533
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
5-(benzylcarbamoyl)pyrrolidine-3-sulfinic acid
CID 170243895
3-benzyl-2-[[(2S)-1-[(2R,4R)-4-phenylmethoxypyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid
CID 18654364
S-[(3S,5S)-5-(benzylcarbamoyl)pyrrolidin-3-yl] ethanethioate
CID 15116364
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide (CID 70341122) is (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide is O=C(NCc1cccc2ccccc12)[C@@H]1CC(OCc2ccccc2)CN1.
What is the InChIKey of (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is CABIXDMQRQYKBU-IAXKEJLGSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-14-19-11-6-10-18-9-4-5-12-21(18)19)22-13-20(15-24-22)27-16-17-7-2-1-3-8-17/h1-12,20,22,24H,13-16H2,(H,25,26)/t20?,22-/m0/s1.
What are the key properties of (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide?
(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 70341122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).