N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide

C20H32N2O2 — CID 100744322

IUPACN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C20H32N2O2/c1-4-18-8-5-6-12-22(18)13-7-11-21-20(23)15-17-9-10-19(24-3)16(2)14-17/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyJQUYCJMPAYLADW-SFHVURJKSA-N
MW332.49 g/mol
LogP3.32
Rot. Bonds8

About N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 100744322) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID100744322
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C20H32N2O2/c1-4-18-8-5-6-12-22(18)13-7-11-21-20(23)15-17-9-10-19(24-3)16(2)14-17/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyJQUYCJMPAYLADW-SFHVURJKSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125042996
1-(3-chloro-4-methoxyphenyl)-3-[3-(2-ethylpiperidin-1-yl)propyl]thiourea
CID 133154550
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide (CID 100744322) is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide is CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(OC)c(C)c1.
What is the InChIKey of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is JQUYCJMPAYLADW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-18-8-5-6-12-22(18)13-7-11-21-20(23)15-17-9-10-19(24-3)16(2)14-17/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 100744322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).