2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide

C17H27NO3 — CID 115495748

IUPAC2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-5-15(6-2)18-17(20)13(4)21-16-9-7-14(8-10-16)11-12(3)19/h7-10,12-13,15,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeySILOETNFISGJJX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds8

About 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide

2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide (PubChem CID 115495748) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
PubChem CID115495748
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-5-15(6-2)18-17(20)13(4)21-16-9-7-14(8-10-16)11-12(3)19/h7-10,12-13,15,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeySILOETNFISGJJX-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide (CID 115495748) is 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc(CC(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is SILOETNFISGJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-15(6-2)18-17(20)13(4)21-16-9-7-14(8-10-16)11-12(3)19/h7-10,12-13,15,19H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide?
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 115495748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).