ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C14H21NO — CID 178170556

IUPACethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC.CC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C12H15NO.C2H6/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12;1-2/h4,6,8H,2-3,5,7H2,1H3,(H,13,14);1-2H3
InChIKeyXFOHNRFYOVDCCQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.55
Rot. Bonds1

About ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 178170556) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID178170556
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC.CC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C12H15NO.C2H6/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12;1-2/h4,6,8H,2-3,5,7H2,1H3,(H,13,14);1-2H3
InChIKeyXFOHNRFYOVDCCQ-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
CID 47131724
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 178170556) is ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC.CC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XFOHNRFYOVDCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12;1-2/h4,6,8H,2-3,5,7H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 178170556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).