N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide

C24H31NO3 — CID 133202111

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCCC1(CC)CC(NC(=O)C(C)Oc2cc(C)ccc2C)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-6-24(7-2)15-20(19-10-8-9-11-21(19)28-24)25-23(26)18(5)27-22-14-16(3)12-13-17(22)4/h8-14,18,20H,6-7,15H2,1-5H3,(H,25,26)
InChIKeyFFVPKXGJRLPNIF-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.27
Rot. Bonds6

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 133202111) 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-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
PubChem CID133202111
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCCC1(CC)CC(NC(=O)C(C)Oc2cc(C)ccc2C)c2ccccc2O1
InChIInChI=1S/C24H31NO3/c1-6-24(7-2)15-20(19-10-8-9-11-21(19)28-24)25-23(26)18(5)27-22-14-16(3)12-13-17(22)4/h8-14,18,20H,6-7,15H2,1-5H3,(H,25,26)
InChIKeyFFVPKXGJRLPNIF-UHFFFAOYSA-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

(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-(3,4-dimethylphenoxy)propanamide
CID 100694409
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 133251758
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 125052495
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 100516176
2-(2,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43907918
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160355
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 125052919

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide (CID 133202111) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide is CCC1(CC)CC(NC(=O)C(C)Oc2cc(C)ccc2C)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is FFVPKXGJRLPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-6-24(7-2)15-20(19-10-8-9-11-21(19)28-24)25-23(26)18(5)27-22-14-16(3)12-13-17(22)4/h8-14,18,20H,6-7,15H2,1-5H3,(H,25,26).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-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 N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 133202111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).