N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

C15H19NO — CID 129365471

IUPACN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3,8-11H,1,4-7H2,2H3,(H,16,17)/t11-/m0/s1
InChIKeyZGSWINWCGUWHEF-NSHDSACASA-N
MW229.32 g/mol
LogP2.93
Rot. Bonds3

About N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (PubChem CID 129365471) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
PubChem CID129365471
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3,8-11H,1,4-7H2,2H3,(H,16,17)/t11-/m0/s1
InChIKeyZGSWINWCGUWHEF-NSHDSACASA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.93
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

N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide
CID 154875394
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide
CID 146094343
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 8956251
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (CID 129365471) is N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is C=CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The InChIKey is ZGSWINWCGUWHEF-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3,8-11H,1,4-7H2,2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 129365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).