N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide

C16H21N3O — CID 70228765

IUPACN-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide
SMILESCCN1C=NC2(CCc3c(cccc3NC(C)=O)C2)C1
InChIInChI=1S/C16H21N3O/c1-3-19-10-16(17-11-19)8-7-14-13(9-16)5-4-6-15(14)18-12(2)20/h4-6,11H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyVSDMPWNZGXXHDN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds2

About N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide

N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide (PubChem CID 70228765) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide
PubChem CID70228765
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide
SMILESCCN1C=NC2(CCc3c(cccc3NC(C)=O)C2)C1
InChIInChI=1S/C16H21N3O/c1-3-19-10-16(17-11-19)8-7-14-13(9-16)5-4-6-15(14)18-12(2)20/h4-6,11H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyVSDMPWNZGXXHDN-UHFFFAOYSA-N
XLogP2.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
N-[6-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836522
N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773305
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
CID 154814589
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
N-[2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166232149
5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide
CID 118037941

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide?
The IUPAC name of N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide (CID 70228765) is N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide.
What is the SMILES notation for N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide?
The canonical SMILES for N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide is CCN1C=NC2(CCc3c(cccc3NC(C)=O)C2)C1.
What is the InChIKey of N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide?
The InChIKey is VSDMPWNZGXXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-10-16(17-11-19)8-7-14-13(9-16)5-4-6-15(14)18-12(2)20/h4-6,11H,3,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide?
N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylspiro[4H-imidazole-5,6'-7,8-dihydro-5H-naphthalene]-1'-yl)acetamide is sourced from PubChem (CID 70228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).