N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide

C17H25NO3 — CID 43503517

IUPACN-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
SMILESCCC(O)c1ccccc1OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H25NO3/c1-3-15(19)14-10-6-7-11-16(14)21-12(2)17(20)18-13-8-4-5-9-13/h6-7,10-13,15,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyDPCXQFVUKZZFQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.96
Rot. Bonds6

About N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide

N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide (PubChem CID 43503517) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
PubChem CID43503517
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
SMILESCCC(O)c1ccccc1OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H25NO3/c1-3-15(19)14-10-6-7-11-16(14)21-12(2)17(20)18-13-8-4-5-9-13/h6-7,10-13,15,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyDPCXQFVUKZZFQE-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide?
The IUPAC name of N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide (CID 43503517) is N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide?
The canonical SMILES for N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide is CCC(O)c1ccccc1OC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide?
The InChIKey is DPCXQFVUKZZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-15(19)14-10-6-7-11-16(14)21-12(2)17(20)18-13-8-4-5-9-13/h6-7,10-13,15,19H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide?
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide is sourced from PubChem (CID 43503517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).