2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide

C17H28N2O2 — CID 103729306

IUPAC2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
SMILESCCCCC(CCC)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-7-15(6-4-2)19-12-14-8-10-16(11-9-14)21-13-17(18)20/h8-11,15,19H,3-7,12-13H2,1-2H3,(H2,18,20)
InChIKeyBYLMPHROJDTTJJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.00
Rot. Bonds11

About 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide

2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide (PubChem CID 103729306) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
PubChem CID103729306
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
SMILESCCCCC(CCC)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-7-15(6-4-2)19-12-14-8-10-16(11-9-14)21-13-17(18)20/h8-11,15,19H,3-7,12-13H2,1-2H3,(H2,18,20)
InChIKeyBYLMPHROJDTTJJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
CID 115644676
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-(4-nonylphenoxy)acetamide
CID 54388059
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
CID 115655301
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide (CID 103729306) is 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide is CCCCC(CCC)NCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide?
The InChIKey is BYLMPHROJDTTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-7-15(6-4-2)19-12-14-8-10-16(11-9-14)21-13-17(18)20/h8-11,15,19H,3-7,12-13H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide?
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 103729306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).