N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide

C24H31NO3 — CID 100747953

IUPACN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCCC1(CC)C[C@@H](NC(=O)CCCOc2ccc(C)cc2)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-4-24(5-2)17-21(20-9-6-7-10-22(20)28-24)25-23(26)11-8-16-27-19-14-12-18(3)13-15-19/h6-7,9-10,12-15,21H,4-5,8,11,16-17H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyQLDZCJLMIJOFJO-OAQYLSRUSA-N
MW381.52 g/mol
LogP5.35
Rot. Bonds8

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 100747953) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
PubChem CID100747953
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCCC1(CC)C[C@@H](NC(=O)CCCOc2ccc(C)cc2)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-4-24(5-2)17-21(20-9-6-7-10-22(20)28-24)25-23(26)11-8-16-27-19-14-12-18(3)13-15-19/h6-7,9-10,12-15,21H,4-5,8,11,16-17H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyQLDZCJLMIJOFJO-OAQYLSRUSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.35
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-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-phenylsulfanylethoxy)benzamide
CID 100622134
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 100659344
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 133161092
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 133251758
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 100768986
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 133186794
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 125060067
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 133161552
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide (CID 100747953) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide is CCC1(CC)C[C@@H](NC(=O)CCCOc2ccc(C)cc2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is QLDZCJLMIJOFJO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31NO3/c1-4-24(5-2)17-21(20-9-6-7-10-22(20)28-24)25-23(26)11-8-16-27-19-14-12-18(3)13-15-19/h6-7,9-10,12-15,21H,4-5,8,11,16-17H2,1-3H3,(H,25,26)/t21-/m1/s1.
What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide?
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 381.52 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 100747953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).