N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide

C21H42N2O4 — CID 90748140

IUPACN,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide
SMILESCC(O)CNC(=O)C(C)(CC(C)(C(=O)NCC(C)O)C(C)C(C)C)C(C)C
InChIInChI=1S/C21H42N2O4/c1-13(2)17(7)21(9,19(27)23-11-16(6)25)12-20(8,14(3)4)18(26)22-10-15(5)24/h13-17,24-25H,10-12H2,1-9H3,(H,22,26)(H,23,27)
InChIKeyRIAIUUGXYJNLAX-UHFFFAOYSA-N
MW386.58 g/mol
LogP2.33
Rot. Bonds11

About N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide

N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide (PubChem CID 90748140) has the molecular formula C21H42N2O4 and a molecular weight of 386.58 g/mol. Its IUPAC name is N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide
PubChem CID90748140
Molecular FormulaC21H42N2O4
Molecular Weight386.58 g/mol
Exact Mass386.31
IUPAC NameN,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide
SMILESCC(O)CNC(=O)C(C)(CC(C)(C(=O)NCC(C)O)C(C)C(C)C)C(C)C
InChIInChI=1S/C21H42N2O4/c1-13(2)17(7)21(9,19(27)23-11-16(6)25)12-20(8,14(3)4)18(26)22-10-15(5)24/h13-17,24-25H,10-12H2,1-9H3,(H,22,26)(H,23,27)
InChIKeyRIAIUUGXYJNLAX-UHFFFAOYSA-N
XLogP2.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide?
The IUPAC name of N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide (CID 90748140) is N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide?
The canonical SMILES for N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide is CC(O)CNC(=O)C(C)(CC(C)(C(=O)NCC(C)O)C(C)C(C)C)C(C)C.
What is the InChIKey of N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide?
The InChIKey is RIAIUUGXYJNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O4/c1-13(2)17(7)21(9,19(27)23-11-16(6)25)12-20(8,14(3)4)18(26)22-10-15(5)24/h13-17,24-25H,10-12H2,1-9H3,(H,22,26)(H,23,27).
What are the key properties of N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide?
N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide has a molecular weight of 386.58 g/mol, XLogP of 2.33, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxypropyl)-2,4-dimethyl-2-(3-methylbutan-2-yl)-4-propan-2-ylpentanediamide is sourced from PubChem (CID 90748140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).