(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide

C20H30N2O2 — CID 120788388

IUPAC(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CC[C@H](CN)O3)CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)20(10-3-2-4-11-20)14-22-19(23)18-9-8-17(13-21)24-18/h5-7,12,17-18H,2-4,8-11,13-14,21H2,1H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyMQVBMYFXLYFMGT-MSOLQXFVSA-N
MW330.47 g/mol
LogP2.82
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide (PubChem CID 120788388) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
PubChem CID120788388
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CC[C@H](CN)O3)CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)20(10-3-2-4-11-20)14-22-19(23)18-9-8-17(13-21)24-18/h5-7,12,17-18H,2-4,8-11,13-14,21H2,1H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyMQVBMYFXLYFMGT-MSOLQXFVSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120789787
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
(2S,5R)-5-(aminomethyl)-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120788855
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 71982060
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide (CID 120788388) is (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide is Cc1cccc(C2(CNC(=O)[C@@H]3CC[C@H](CN)O3)CCCCC2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide?
The InChIKey is MQVBMYFXLYFMGT-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)20(10-3-2-4-11-20)14-22-19(23)18-9-8-17(13-21)24-18/h5-7,12,17-18H,2-4,8-11,13-14,21H2,1H3,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120788388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).