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

C20H31N3O2 — CID 120796874

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1
InChIInChI=1S/C20H31N3O2/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)/t17-,19+/m1/s1
InChIKeyBCMUCHOYQXBSLV-MJGOQNOKSA-N
MW345.49 g/mol
LogP2.90
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 120796874) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID120796874
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1
InChIInChI=1S/C20H31N3O2/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)/t17-,19+/m1/s1
InChIKeyBCMUCHOYQXBSLV-MJGOQNOKSA-N
XLogP2.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796873
(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
(2S,5R)-5-(aminomethyl)-N-[2-(phenylmethoxymethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787317
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
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 43044561
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
CID 120795540
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide (CID 120796874) is (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide is CN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is BCMUCHOYQXBSLV-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H31N3O2/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)/t17-,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.90, 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 is sourced from PubChem (CID 120796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).