N,N-bis(2-hydroxyethyl)-4-methylpentanamide

C10H21NO3 — CID 58679357

IUPACN,N-bis(2-hydroxyethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-9(2)3-4-10(14)11(5-7-12)6-8-13/h9,12-13H,3-8H2,1-2H3
InChIKeyPUQWVRIBAMNGJB-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.24
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-4-methylpentanamide

N,N-bis(2-hydroxyethyl)-4-methylpentanamide (PubChem CID 58679357) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-methylpentanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-methylpentanamide
PubChem CID58679357
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN,N-bis(2-hydroxyethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-9(2)3-4-10(14)11(5-7-12)6-8-13/h9,12-13H,3-8H2,1-2H3
InChIKeyPUQWVRIBAMNGJB-UHFFFAOYSA-N
XLogP0.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-methylpentanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-methylpentanamide (CID 58679357) is N,N-bis(2-hydroxyethyl)-4-methylpentanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-methylpentanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-methylpentanamide is CC(C)CCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-methylpentanamide?
The InChIKey is PUQWVRIBAMNGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)3-4-10(14)11(5-7-12)6-8-13/h9,12-13H,3-8H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-methylpentanamide?
N,N-bis(2-hydroxyethyl)-4-methylpentanamide has a molecular weight of 203.28 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-methylpentanamide is sourced from PubChem (CID 58679357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).