(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one

C19H29N3O2 — CID 130244650

IUPAC(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one
SMILESCN(CC1CCOC1)[C@@]1(c2ccccc2)CCCNC(=O)NCC1
InChIInChI=1S/C19H29N3O2/c1-22(14-16-8-13-24-15-16)19(17-6-3-2-4-7-17)9-5-11-20-18(23)21-12-10-19/h2-4,6-7,16H,5,8-15H2,1H3,(H2,20,21,23)/t16?,19-/m0/s1
InChIKeyRSALWWITEADGSA-CVMIBEPCSA-N
MW331.46 g/mol
LogP2.33
Rot. Bonds4

About (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one

(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one (PubChem CID 130244650) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one.

Molecular Properties

Compound Name(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one
PubChem CID130244650
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one
SMILESCN(CC1CCOC1)[C@@]1(c2ccccc2)CCCNC(=O)NCC1
InChIInChI=1S/C19H29N3O2/c1-22(14-16-8-13-24-15-16)19(17-6-3-2-4-7-17)9-5-11-20-18(23)21-12-10-19/h2-4,6-7,16H,5,8-15H2,1H3,(H2,20,21,23)/t16?,19-/m0/s1
InChIKeyRSALWWITEADGSA-CVMIBEPCSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one?
The IUPAC name of (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one (CID 130244650) is (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one.
What is the SMILES notation for (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one?
The canonical SMILES for (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one is CN(CC1CCOC1)[C@@]1(c2ccccc2)CCCNC(=O)NCC1.
What is the InChIKey of (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one?
The InChIKey is RSALWWITEADGSA-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22(14-16-8-13-24-15-16)19(17-6-3-2-4-7-17)9-5-11-20-18(23)21-12-10-19/h2-4,6-7,16H,5,8-15H2,1H3,(H2,20,21,23)/t16?,19-/m0/s1.
What are the key properties of (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one?
(6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[methyl(oxolan-3-ylmethyl)amino]-6-phenyl-1,3-diazonan-2-one is sourced from PubChem (CID 130244650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).