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

C16H23NO2 — CID 133160348

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCCC(=O)NC1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C16H23NO2/c1-4-15(18)17-13-11-16(5-2,6-3)19-14-10-8-7-9-12(13)14/h7-10,13H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyKWUHCVGYFNHXFZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.60
Rot. Bonds4

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

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 133160348) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
PubChem CID133160348
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCCC(=O)NC1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C16H23NO2/c1-4-15(18)17-13-11-16(5-2,6-3)19-14-10-8-7-9-12(13)14/h7-10,13H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyKWUHCVGYFNHXFZ-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2-benzylsulfanyl-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235655
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
2-[N-(benzenesulfonyl)anilino]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703847
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
2-[N-(benzenesulfonyl)anilino]-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703833
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)-2-(2-propan-2-ylphenoxy)acetamide
CID 133186794
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
CID 100747953
1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]urea
CID 100690269
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide (CID 133160348) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide is CCC(=O)NC1CC(CC)(CC)Oc2ccccc21.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide?
The InChIKey is KWUHCVGYFNHXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-15(18)17-13-11-16(5-2,6-3)19-14-10-8-7-9-12(13)14/h7-10,13H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 3.60, 4 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)propanamide is sourced from PubChem (CID 133160348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).