(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide

C24H31NO3 — CID 100694409

IUPAC(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-6-24(7-2)15-21(20-10-8-9-11-22(20)28-24)25-23(26)18(5)27-19-13-12-16(3)17(4)14-19/h8-14,18,21H,6-7,15H2,1-5H3,(H,25,26)/t18-,21+/m1/s1
InChIKeyPAGCUUWWLCLGGB-NQIIRXRSSA-N
MW381.52 g/mol
LogP5.27
Rot. Bonds6

About (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide

(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 100694409) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID100694409
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-6-24(7-2)15-21(20-10-8-9-11-22(20)28-24)25-23(26)18(5)27-19-13-12-16(3)17(4)14-19/h8-14,18,21H,6-7,15H2,1-5H3,(H,25,26)/t18-,21+/m1/s1
InChIKeyPAGCUUWWLCLGGB-NQIIRXRSSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160355
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100525001
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
(2S)-2-(4-tert-butylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100770619
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 133251758
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 100568703
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657315

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide (CID 100694409) is (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide is CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2ccccc2O1.
What is the InChIKey of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is PAGCUUWWLCLGGB-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H31NO3/c1-6-24(7-2)15-21(20-10-8-9-11-22(20)28-24)25-23(26)18(5)27-19-13-12-16(3)17(4)14-19/h8-14,18,21H,6-7,15H2,1-5H3,(H,25,26)/t18-,21+/m1/s1.
What are the key properties of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide?
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 381.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 100694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).