(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 120796873

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
SMILESCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-23(16-8-3-2-4-9-16)14-15-7-5-6-10-18(15)22-20(24)19-12-11-17(13-21)25-19;;/h5-7,10,16-17,19H,2-4,8-9,11-14,21H2,1H3,(H,22,24);2*1H/t17-,19+;;/m1../s1
InChIKeyVEOHTPYVHBAJCS-QFZUCXBQSA-N
MW418.41 g/mol
LogP3.74
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120796873) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120796873
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
SMILESCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-23(16-8-3-2-4-9-16)14-15-7-5-6-10-18(15)22-20(24)19-12-11-17(13-21)25-19;;/h5-7,10,16-17,19H,2-4,8-9,11-14,21H2,1H3,(H,22,24);2*1H/t17-,19+;;/m1../s1
InChIKeyVEOHTPYVHBAJCS-QFZUCXBQSA-N
XLogP3.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride 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-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120796874
(2S,5R)-5-(aminomethyl)-N-[2-(phenylmethoxymethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787317
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
CID 120795540
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 43044561

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride (CID 120796873) is (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride is CN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is VEOHTPYVHBAJCS-QFZUCXBQSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-23(16-8-3-2-4-9-16)14-15-7-5-6-10-18(15)22-20(24)19-12-11-17(13-21)25-19;;/h5-7,10,16-17,19H,2-4,8-9,11-14,21H2,1H3,(H,22,24);2*1H/t17-,19+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 3.74, 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-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120796873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).