N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide

C14H17NO — CID 162747128

IUPACN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1c2ccccc2CCC1C
InChIInChI=1S/C14H17NO/c1-3-13(16)15-14-10(2)8-9-11-6-4-5-7-12(11)14/h3-7,10,14H,1,8-9H2,2H3,(H,15,16)
InChIKeyYHXGVVSYOMYCBQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds2

About N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide

N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide (PubChem CID 162747128) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
PubChem CID162747128
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1c2ccccc2CCC1C
InChIInChI=1S/C14H17NO/c1-3-13(16)15-14-10(2)8-9-11-6-4-5-7-12(11)14/h3-7,10,14H,1,8-9H2,2H3,(H,15,16)
InChIKeyYHXGVVSYOMYCBQ-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11232317
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 75499008
3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
CID 126839968
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate
CID 146103253
N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
CID 166215337
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide (CID 162747128) is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is C=CC(=O)NC1c2ccccc2CCC1C.
What is the InChIKey of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The InChIKey is YHXGVVSYOMYCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13(16)15-14-10(2)8-9-11-6-4-5-7-12(11)14/h3-7,10,14H,1,8-9H2,2H3,(H,15,16).
What are the key properties of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 162747128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).