2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

C19H30N2O3 — CID 94800055

IUPAC2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)COCCOc2ccccc2)C1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-10-6-7-17(14-21)13-20-19(22)15-23-11-12-24-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyAKNHXNQOSIXANW-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.32
Rot. Bonds9

About 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (PubChem CID 94800055) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
PubChem CID94800055
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)COCCOc2ccccc2)C1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-10-6-7-17(14-21)13-20-19(22)15-23-11-12-24-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyAKNHXNQOSIXANW-KRWDZBQOSA-N
XLogP2.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
3-imidazo[1,2-a]pyridin-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 56716306
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (CID 94800055) is 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is CC(C)N1CCC[C@@H](CNC(=O)COCCOc2ccccc2)C1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The InChIKey is AKNHXNQOSIXANW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(2)21-10-6-7-17(14-21)13-20-19(22)15-23-11-12-24-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 94800055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).