N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide

C24H31NO3 — CID 133186794

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC1(CC)CC(NC(=O)COc2ccccc2C(C)C)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-5-24(6-2)15-20(19-12-8-10-14-22(19)28-24)25-23(26)16-27-21-13-9-7-11-18(21)17(3)4/h7-14,17,20H,5-6,15-16H2,1-4H3,(H,25,26)
InChIKeyNGKSVEUWMFILKP-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.39
Rot. Bonds7

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 133186794) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID133186794
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC1(CC)CC(NC(=O)COc2ccccc2C(C)C)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-5-24(6-2)15-20(19-12-8-10-14-22(19)28-24)25-23(26)16-27-21-13-9-7-11-18(21)17(3)4/h7-14,17,20H,5-6,15-16H2,1-4H3,(H,25,26)
InChIKeyNGKSVEUWMFILKP-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100525001
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
CID 100747953
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide
CID 100528499
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 100695082
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133251790
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 133186794) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide is CCC1(CC)CC(NC(=O)COc2ccccc2C(C)C)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is NGKSVEUWMFILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-5-24(6-2)15-20(19-12-8-10-14-22(19)28-24)25-23(26)16-27-21-13-9-7-11-18(21)17(3)4/h7-14,17,20H,5-6,15-16H2,1-4H3,(H,25,26).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 381.52 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 133186794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).