N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

C17H25NO3 — CID 78933846

IUPACN-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@H](O)c1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H25NO3/c1-13(19)15-10-6-7-11-16(15)21-12-17(20)18-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyIKENONIRLQUZQT-ZDUSSCGKSA-N
MW291.39 g/mol
LogP2.96
Rot. Bonds5

About N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (PubChem CID 78933846) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
PubChem CID78933846
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@H](O)c1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H25NO3/c1-13(19)15-10-6-7-11-16(15)21-12-17(20)18-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyIKENONIRLQUZQT-ZDUSSCGKSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (CID 78933846) is N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is C[C@H](O)c1ccccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The InChIKey is IKENONIRLQUZQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(19)15-10-6-7-11-16(15)21-12-17(20)18-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,19H,2-5,8-9,12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is sourced from PubChem (CID 78933846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).