N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide

C24H28N2O2 — CID 154875394

IUPACN-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H28N2O2/c1-3-23(27)26-17(2)20-11-8-18(9-12-20)16-25-24(28)15-19-10-13-21-6-4-5-7-22(21)14-19/h3,8-14,17H,1,4-7,15-16H2,2H3,(H,25,28)(H,26,27)
InChIKeyBZYFDEIMEGCUBE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.79
Rot. Bonds7

About N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide

N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide (PubChem CID 154875394) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide
PubChem CID154875394
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H28N2O2/c1-3-23(27)26-17(2)20-11-8-18(9-12-20)16-25-24(28)15-19-10-13-21-6-4-5-7-22(21)14-19/h3,8-14,17H,1,4-7,15-16H2,2H3,(H,25,28)(H,26,27)
InChIKeyBZYFDEIMEGCUBE-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide
CID 146094343
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide (CID 154875394) is N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide?
The InChIKey is BZYFDEIMEGCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-23(27)26-17(2)20-11-8-18(9-12-20)16-25-24(28)15-19-10-13-21-6-4-5-7-22(21)14-19/h3,8-14,17H,1,4-7,15-16H2,2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide?
N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 154875394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).