(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide

C18H30N2O5 — CID 97050456

IUPAC(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1[C@H](C(N)=O)N(C(C)(O)O)C(C)(O)O
InChIInChI=1S/C18H30N2O5/c1-10(2)12-8-7-9-13(11(3)4)14(12)15(16(19)21)20(17(5,22)23)18(6,24)25/h7-11,15,22-25H,1-6H3,(H2,19,21)/t15-/m1/s1
InChIKeyXJPZLGQNBJBYKO-OAHLLOKOSA-N
MW354.45 g/mol
LogP1.08
Rot. Bonds7

About (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide

(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 97050456) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID97050456
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1[C@H](C(N)=O)N(C(C)(O)O)C(C)(O)O
InChIInChI=1S/C18H30N2O5/c1-10(2)12-8-7-9-13(11(3)4)14(12)15(16(19)21)20(17(5,22)23)18(6,24)25/h7-11,15,22-25H,1-6H3,(H2,19,21)/t15-/m1/s1
InChIKeyXJPZLGQNBJBYKO-OAHLLOKOSA-N
XLogP1.08
TPSA127.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide (CID 97050456) is (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1[C@H](C(N)=O)N(C(C)(O)O)C(C)(O)O.
What is the InChIKey of (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is XJPZLGQNBJBYKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-10(2)12-8-7-9-13(11(3)4)14(12)15(16(19)21)20(17(5,22)23)18(6,24)25/h7-11,15,22-25H,1-6H3,(H2,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide?
(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.08, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 97050456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).