2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide

C17H26N2O2 — CID 81302858

IUPAC2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
SMILESCC1CC(C)(C)CCC1Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-12-10-17(2,3)8-7-15(12)19-13-5-4-6-14(9-13)21-11-16(18)20/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H2,18,20)
InChIKeyZSYCWUXFKKFSBF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide

2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide (PubChem CID 81302858) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
PubChem CID81302858
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
SMILESCC1CC(C)(C)CCC1Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-12-10-17(2,3)8-7-15(12)19-13-5-4-6-14(9-13)21-11-16(18)20/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H2,18,20)
InChIKeyZSYCWUXFKKFSBF-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097
2-[3-[(2-methoxycyclohexyl)amino]phenoxy]acetamide
CID 43785927
2-[3-[(4,4-dimethylthian-3-yl)amino]phenoxy]acetamide
CID 79947927
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067417
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
3-bromo-5-methoxy-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82868173

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide (CID 81302858) is 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide is CC1CC(C)(C)CCC1Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide?
The InChIKey is ZSYCWUXFKKFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-17(2,3)8-7-15(12)19-13-5-4-6-14(9-13)21-11-16(18)20/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H2,18,20).
What are the key properties of 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide?
2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide is sourced from PubChem (CID 81302858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).