N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide

C22H27NO2 — CID 100525677

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C
InChIInChI=1S/C22H27NO2/c1-15-9-10-17(13-16(15)2)11-12-21(24)23-19-14-22(3,4)25-20-8-6-5-7-18(19)20/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,24)/t19-/m1/s1
InChIKeyPKLJSQNZVYAATH-LJQANCHMSA-N
MW337.46 g/mol
LogP4.65
Rot. Bonds4

About N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide (PubChem CID 100525677) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
PubChem CID100525677
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C
InChIInChI=1S/C22H27NO2/c1-15-9-10-17(13-16(15)2)11-12-21(24)23-19-14-22(3,4)25-20-8-6-5-7-18(19)20/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,24)/t19-/m1/s1
InChIKeyPKLJSQNZVYAATH-LJQANCHMSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590455
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
CID 132652300
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242407

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide (CID 100525677) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide?
The InChIKey is PKLJSQNZVYAATH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-9-10-17(13-16(15)2)11-12-21(24)23-19-14-22(3,4)25-20-8-6-5-7-18(19)20/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 100525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).