N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide

C20H23NO3 — CID 132651020

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C20H23NO3/c1-14(23-15-9-5-4-6-10-15)19(22)21-17-13-20(2,3)24-18-12-8-7-11-16(17)18/h4-12,14,17H,13H2,1-3H3,(H,21,22)
InChIKeyLOROZXKYTGFHEC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.87
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide (PubChem CID 132651020) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
PubChem CID132651020
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C20H23NO3/c1-14(23-15-9-5-4-6-10-15)19(22)21-17-13-20(2,3)24-18-12-8-7-11-16(17)18/h4-12,14,17H,13H2,1-3H3,(H,21,22)
InChIKeyLOROZXKYTGFHEC-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657315
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
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
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
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 N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide (CID 132651020) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide?
The InChIKey is LOROZXKYTGFHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(23-15-9-5-4-6-10-15)19(22)21-17-13-20(2,3)24-18-12-8-7-11-16(17)18/h4-12,14,17H,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide has a molecular weight of 325.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide is sourced from PubChem (CID 132651020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).