2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide

C24H31NO3 — CID 132657315

IUPAC2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C24H31NO3/c1-16(27-18-13-11-17(12-14-18)23(2,3)4)22(26)25-20-15-24(5,6)28-21-10-8-7-9-19(20)21/h7-14,16,20H,15H2,1-6H3,(H,25,26)
InChIKeyXTQDJJWEEKAMPY-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide

2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 132657315) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
PubChem CID132657315
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C24H31NO3/c1-16(27-18-13-11-17(12-14-18)23(2,3)4)22(26)25-20-15-24(5,6)28-21-10-8-7-9-19(20)21/h7-14,16,20H,15H2,1-6H3,(H,25,26)
InChIKeyXTQDJJWEEKAMPY-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
(2S)-2-(4-tert-butylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100770619
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160355

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide (CID 132657315) is 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide?
The InChIKey is XTQDJJWEEKAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-16(27-18-13-11-17(12-14-18)23(2,3)4)22(26)25-20-15-24(5,6)28-21-10-8-7-9-19(20)21/h7-14,16,20H,15H2,1-6H3,(H,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide?
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide is sourced from PubChem (CID 132657315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).