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

C16H23NO2 — CID 56922214

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)C)c2ccccc2O1
InChIInChI=1S/C16H23NO2/c1-15(2,3)14(18)17-12-10-16(4,5)19-13-9-7-6-8-11(12)13/h6-9,12H,10H2,1-5H3,(H,17,18)
InChIKeyBFBBLACBYWIPDH-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.45
Rot. Bonds1

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

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide (PubChem CID 56922214) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
PubChem CID56922214
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)C)c2ccccc2O1
InChIInChI=1S/C16H23NO2/c1-15(2,3)14(18)17-12-10-16(4,5)19-13-9-7-6-8-11(12)13/h6-9,12H,10H2,1-5H3,(H,17,18)
InChIKeyBFBBLACBYWIPDH-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 119331752
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99588781
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
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-phenoxypropanamide
CID 132651020
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide (CID 56922214) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide is CC1(C)CC(NC(=O)C(C)(C)C)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide?
The InChIKey is BFBBLACBYWIPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)14(18)17-12-10-16(4,5)19-13-9-7-6-8-11(12)13/h6-9,12H,10H2,1-5H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide has a molecular weight of 261.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 56922214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).