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

C24H31NO2 — CID 133185009

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
SMILESCCC1(CC)CC(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2O1
InChIInChI=1S/C24H31NO2/c1-5-24(6-2)16-21(20-9-7-8-10-22(20)27-24)25-23(26)14-13-19-12-11-17(3)18(4)15-19/h7-12,15,21H,5-6,13-14,16H2,1-4H3,(H,25,26)
InChIKeyKSTUMABTJYCDLO-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.43
Rot. Bonds6

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

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide (PubChem CID 133185009) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
PubChem CID133185009
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
SMILESCCC1(CC)CC(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2O1
InChIInChI=1S/C24H31NO2/c1-5-24(6-2)16-21(20-9-7-8-10-22(20)27-24)25-23(26)14-13-19-12-11-17(3)18(4)15-19/h7-12,15,21H,5-6,13-14,16H2,1-4H3,(H,25,26)
InChIKeyKSTUMABTJYCDLO-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
CID 100747953
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 125060067
2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235655
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235513
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide (CID 133185009) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide is CCC1(CC)CC(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide?
The InChIKey is KSTUMABTJYCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-5-24(6-2)16-21(20-9-7-8-10-22(20)27-24)25-23(26)14-13-19-12-11-17(3)18(4)15-19/h7-12,15,21H,5-6,13-14,16H2,1-4H3,(H,25,26).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide has a molecular weight of 365.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 133185009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).