(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide

C20H24N2O3 — CID 120795540

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
SMILESCc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H24N2O3/c1-14-15(13-24-16-7-3-2-4-8-16)6-5-9-18(14)22-20(23)19-11-10-17(12-21)25-19/h2-9,17,19H,10-13,21H2,1H3,(H,22,23)/t17-,19+/m1/s1
InChIKeyDDKPXEBRXPOLFX-MJGOQNOKSA-N
MW340.42 g/mol
LogP3.02
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide (PubChem CID 120795540) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
PubChem CID120795540
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
SMILESCc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H24N2O3/c1-14-15(13-24-16-7-3-2-4-8-16)6-5-9-18(14)22-20(23)19-11-10-17(12-21)25-19/h2-9,17,19H,10-13,21H2,1H3,(H,22,23)/t17-,19+/m1/s1
InChIKeyDDKPXEBRXPOLFX-MJGOQNOKSA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3-benzamido-2-methylphenyl)oxolane-2-carboxamide
CID 120789036
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 120799406
(2S,5R)-5-(aminomethyl)-N-[2-(phenylmethoxymethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787317
(2S,5R)-5-(aminomethyl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120791011
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
(2S,5R)-5-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120794541
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide (CID 120795540) is (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide is Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is DDKPXEBRXPOLFX-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-15(13-24-16-7-3-2-4-8-16)6-5-9-18(14)22-20(23)19-11-10-17(12-21)25-19/h2-9,17,19H,10-13,21H2,1H3,(H,22,23)/t17-,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120795540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).