N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide

C13H17NO2 — CID 22218129

IUPACN-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
SMILESCCC1CCOc2cc(NC(C)=O)ccc21
InChIInChI=1S/C13H17NO2/c1-3-10-6-7-16-13-8-11(14-9(2)15)4-5-12(10)13/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNEBHMNVNIPQRSU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds2

About N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide

N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide (PubChem CID 22218129) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
PubChem CID22218129
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
SMILESCCC1CCOc2cc(NC(C)=O)ccc21
InChIInChI=1S/C13H17NO2/c1-3-10-6-7-16-13-8-11(14-9(2)15)4-5-12(10)13/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNEBHMNVNIPQRSU-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
CID 95771072
(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol
CID 69173568
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
1-N-(3-acetamidophenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143830
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 69467433
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide?
The IUPAC name of N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide (CID 22218129) is N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide?
The canonical SMILES for N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide is CCC1CCOc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide?
The InChIKey is NEBHMNVNIPQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10-6-7-16-13-8-11(14-9(2)15)4-5-12(10)13/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide?
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide is sourced from PubChem (CID 22218129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).