N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C22H28N2O4 — CID 100617499

IUPACN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(C)(C)C1=CCN(CCNC(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)17-8-11-24(12-9-17)13-10-23-20(25)15-27-18-6-4-16-5-7-21(26)28-19(16)14-18/h4-8,14H,9-13,15H2,1-3H3,(H,23,25)
InChIKeyHVMBVPORLHUPHS-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 100617499) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID100617499
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(C)(C)C1=CCN(CCNC(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)17-8-11-24(12-9-17)13-10-23-20(25)15-27-18-6-4-16-5-7-21(26)28-19(16)14-18/h4-8,14H,9-13,15H2,1-3H3,(H,23,25)
InChIKeyHVMBVPORLHUPHS-UHFFFAOYSA-N
XLogP2.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
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CID 8882835
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933517
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 55550585
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51153321
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 29412525

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 100617499) is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is CC(C)(C)C1=CCN(CCNC(=O)COc2ccc3ccc(=O)oc3c2)CC1.
What is the InChIKey of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is HVMBVPORLHUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)17-8-11-24(12-9-17)13-10-23-20(25)15-27-18-6-4-16-5-7-21(26)28-19(16)14-18/h4-8,14H,9-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 384.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 100617499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).