2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide

C14H22N2O3 — CID 115644676

IUPAC2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
SMILESCCC(CCO)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-12(7-8-17)16-9-11-3-5-13(6-4-11)19-10-14(15)18/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18)
InChIKeyPEESDRMKTHUXOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.80
Rot. Bonds9

About 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide

2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide (PubChem CID 115644676) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
PubChem CID115644676
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
SMILESCCC(CCO)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-12(7-8-17)16-9-11-3-5-13(6-4-11)19-10-14(15)18/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18)
InChIKeyPEESDRMKTHUXOZ-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 103267723
2-[(4-ethoxyphenyl)methylamino]butyl acetate
CID 82533219
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide (CID 115644676) is 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide is CCC(CCO)NCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide?
The InChIKey is PEESDRMKTHUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-12(7-8-17)16-9-11-3-5-13(6-4-11)19-10-14(15)18/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18).
What are the key properties of 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide?
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 115644676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).