(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide

C19H26N2O4 — CID 94661285

IUPAC(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
SMILESNC(=O)C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCOCC1
InChIInChI=1S/C19H26N2O4/c20-18(23)19(8-11-24-12-9-19)13-21-17(22)15-7-4-10-25-16(15)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,20,23)(H,21,22)/t15-,16+/m1/s1
InChIKeySSDQHCATMKBRNI-CVEARBPZSA-N
MW346.43 g/mol
LogP1.55
Rot. Bonds5

About (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide

(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide (PubChem CID 94661285) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
PubChem CID94661285
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
SMILESNC(=O)C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCOCC1
InChIInChI=1S/C19H26N2O4/c20-18(23)19(8-11-24-12-9-19)13-21-17(22)15-7-4-10-25-16(15)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,20,23)(H,21,22)/t15-,16+/m1/s1
InChIKeySSDQHCATMKBRNI-CVEARBPZSA-N
XLogP1.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide (CID 94661285) is (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide is NC(=O)C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCOCC1.
What is the InChIKey of (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide?
The InChIKey is SSDQHCATMKBRNI-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26N2O4/c20-18(23)19(8-11-24-12-9-19)13-21-17(22)15-7-4-10-25-16(15)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,20,23)(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide?
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 94661285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).