(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride

C19H23ClN2O3 — CID 120783599

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)c1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-5-4-6-14(11-13)23-17-8-3-2-7-16(17)21-19(22)18-10-9-15(12-20)24-18;/h2-8,11,15,18H,9-10,12,20H2,1H3,(H,21,22);1H/t15-,18+;/m1./s1
InChIKeyPPEIAVVXUUTDGK-CFILVAQYSA-N
MW362.86 g/mol
LogP3.65
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120783599) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120783599
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)c1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-5-4-6-14(11-13)23-17-8-3-2-7-16(17)21-19(22)18-10-9-15(12-20)24-18;/h2-8,11,15,18H,9-10,12,20H2,1H3,(H,21,22);1H/t15-,18+;/m1./s1
InChIKeyPPEIAVVXUUTDGK-CFILVAQYSA-N
XLogP3.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120796585
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120789983
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
CID 120795540
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17428929
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
CID 120785310
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120783599) is (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride is Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)c1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is PPEIAVVXUUTDGK-CFILVAQYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-13-5-4-6-14(11-13)23-17-8-3-2-7-16(17)21-19(22)18-10-9-15(12-20)24-18;/h2-8,11,15,18H,9-10,12,20H2,1H3,(H,21,22);1H/t15-,18+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.65, 5 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-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).