(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide

C20H36N2O4 — CID 25014793

IUPAC(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H36N2O4/c23-17-16(13-21-14-9-5-1-2-6-10-14)26-19(18(17)24)20(25)22-15-11-7-3-4-8-12-15/h14-19,21,23-24H,1-13H2,(H,22,25)/t16-,17-,18+,19+/m1/s1
InChIKeyCQTVQJABMOTZPM-YRXWBPOGSA-N
MW368.52 g/mol
LogP1.63
Rot. Bonds5

About (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 25014793) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID25014793
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H36N2O4/c23-17-16(13-21-14-9-5-1-2-6-10-14)26-19(18(17)24)20(25)22-15-11-7-3-4-8-12-15/h14-19,21,23-24H,1-13H2,(H,22,25)/t16-,17-,18+,19+/m1/s1
InChIKeyCQTVQJABMOTZPM-YRXWBPOGSA-N
XLogP1.63
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide (CID 25014793) is (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide is O=C(NC1CCCCCC1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is CQTVQJABMOTZPM-YRXWBPOGSA-N. The full InChI is InChI=1S/C20H36N2O4/c23-17-16(13-21-14-9-5-1-2-6-10-14)26-19(18(17)24)20(25)22-15-11-7-3-4-8-12-15/h14-19,21,23-24H,1-13H2,(H,22,25)/t16-,17-,18+,19+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-N-cycloheptyl-5-[(cycloheptylamino)methyl]-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 25014793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).