N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide

C14H27NO3 — CID 71969008

IUPACN-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1(O)CCCC1
InChIInChI=1S/C14H27NO3/c1-3-11(4-2)12(16)10-15-13(17)9-14(18)7-5-6-8-14/h11-12,16,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyYXFVZNYADMEFIX-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.59
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide

N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 71969008) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide
PubChem CID71969008
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1(O)CCCC1
InChIInChI=1S/C14H27NO3/c1-3-11(4-2)12(16)10-15-13(17)9-14(18)7-5-6-8-14/h11-12,16,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyYXFVZNYADMEFIX-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide (CID 71969008) is N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide is CCC(CC)C(O)CNC(=O)CC1(O)CCCC1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is YXFVZNYADMEFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-11(4-2)12(16)10-15-13(17)9-14(18)7-5-6-8-14/h11-12,16,18H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 257.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 71969008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).