2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide

C20H42N2O4 — CID 88816840

IUPAC2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide
SMILESCCCC(CCC)(CCO)C(N)=O.CCCC(CO)(CCC)CC(N)=O
InChIInChI=1S/2C10H21NO2/c1-3-5-10(8-12,6-4-2)7-9(11)13;1-3-5-10(6-4-2,7-8-12)9(11)13/h2*12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyIWVNCIWQFDLKEW-UHFFFAOYSA-N
MW374.57 g/mol
LogP2.88
Rot. Bonds14

About 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide

2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide (PubChem CID 88816840) has the molecular formula C20H42N2O4 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide
PubChem CID88816840
Molecular FormulaC20H42N2O4
Molecular Weight374.57 g/mol
Exact Mass374.31
IUPAC Name2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide
SMILESCCCC(CCC)(CCO)C(N)=O.CCCC(CO)(CCC)CC(N)=O
InChIInChI=1S/2C10H21NO2/c1-3-5-10(8-12,6-4-2)7-9(11)13;1-3-5-10(6-4-2,7-8-12)9(11)13/h2*12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyIWVNCIWQFDLKEW-UHFFFAOYSA-N
XLogP2.88
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethyl)-2-propylpentanamide
CID 21402951
2,2-dipropylpentanediamide;hydrochloride
CID 174451437
3,3-diethyl-5-hydroxypentanamide
CID 21402990
2-ethyl-2-propylpentanamide
CID 10352144
2-icosyl-2-pentyldocosanamide
CID 175538156
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid
CID 88816768
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2-(hydroxymethyl)-2-propylpropane-1,3-diol;methanesulfonic acid
CID 86744882
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide?
The IUPAC name of 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide (CID 88816840) is 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide?
The canonical SMILES for 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide is CCCC(CCC)(CCO)C(N)=O.CCCC(CO)(CCC)CC(N)=O.
What is the InChIKey of 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide?
The InChIKey is IWVNCIWQFDLKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21NO2/c1-3-5-10(8-12,6-4-2)7-9(11)13;1-3-5-10(6-4-2,7-8-12)9(11)13/h2*12H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide?
2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide has a molecular weight of 374.57 g/mol, XLogP of 2.88, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide is sourced from PubChem (CID 88816840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).