sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide

C22H29N2NaO — CID 161375907

IUPACsodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]C(=O)N(C)C(C)c1ccccc1.[Na+]
InChIInChI=1S/C22H30N2O.Na/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(25)24(6)17(5)18-11-8-7-9-12-18;/h7-17H,1-6H3,(H,23,25);/q;+1/p-1
InChIKeyJZISWFAYXCHKDC-UHFFFAOYSA-M
MW360.48 g/mol
LogP3.76
Rot. Bonds5

About sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide

sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide (PubChem CID 161375907) has the molecular formula C22H29N2NaO and a molecular weight of 360.48 g/mol. Its IUPAC name is sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide.

Molecular Properties

Compound Namesodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide
PubChem CID161375907
Molecular FormulaC22H29N2NaO
Molecular Weight360.48 g/mol
Exact Mass360.22
IUPAC Namesodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]C(=O)N(C)C(C)c1ccccc1.[Na+]
InChIInChI=1S/C22H30N2O.Na/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(25)24(6)17(5)18-11-8-7-9-12-18;/h7-17H,1-6H3,(H,23,25);/q;+1/p-1
InChIKeyJZISWFAYXCHKDC-UHFFFAOYSA-M
XLogP3.76
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide?
The IUPAC name of sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide (CID 161375907) is sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide.
What is the SMILES notation for sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide?
The canonical SMILES for sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide is CC(C)c1cccc(C(C)C)c1[N-]C(=O)N(C)C(C)c1ccccc1.[Na+].
What is the InChIKey of sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide?
The InChIKey is JZISWFAYXCHKDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30N2O.Na/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(25)24(6)17(5)18-11-8-7-9-12-18;/h7-17H,1-6H3,(H,23,25);/q;+1/p-1.
What are the key properties of sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide?
sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide has a molecular weight of 360.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2,6-di(propan-2-yl)phenyl]-[methyl(1-phenylethyl)carbamoyl]azanide is sourced from PubChem (CID 161375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).