(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide

C26H28N2O2 — CID 89381018

IUPAC(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide
SMILESC/C=C(/CCC(=O)N[C@H](Cc1cccc2ccccc12)NC=O)c1ccccc1C
InChIInChI=1S/C26H28N2O2/c1-3-20(23-13-6-4-9-19(23)2)15-16-26(30)28-25(27-18-29)17-22-12-8-11-21-10-5-7-14-24(21)22/h3-14,18,25H,15-17H2,1-2H3,(H,27,29)(H,28,30)/b20-3-/t25-/m1/s1
InChIKeyNGQYZNYYURMHFI-LXFRUGBFSA-N
MW400.52 g/mol
LogP4.76
Rot. Bonds9

About (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide

(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide (PubChem CID 89381018) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide.

Molecular Properties

Compound Name(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide
PubChem CID89381018
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide
SMILESC/C=C(/CCC(=O)N[C@H](Cc1cccc2ccccc12)NC=O)c1ccccc1C
InChIInChI=1S/C26H28N2O2/c1-3-20(23-13-6-4-9-19(23)2)15-16-26(30)28-25(27-18-29)17-22-12-8-11-21-10-5-7-14-24(21)22/h3-14,18,25H,15-17H2,1-2H3,(H,27,29)(H,28,30)/b20-3-/t25-/m1/s1
InChIKeyNGQYZNYYURMHFI-LXFRUGBFSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z,2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(1R)-2-(1-benzothiophen-3-yl)-1-formamidoethyl]-4-(2-methylphenyl)hex-4-enamide
CID 89380998
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
2-(hexadecanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 23093240
(2S)-N-(2-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24535921
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
(2S)-2-(6-hydroxyhexanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 68734772
5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
CID 68562260
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
CID 166000608
(2S)-2-[[(E)-hex-3-enoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 68734078
(E)-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]hex-4-enoic acid
CID 120692896
2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
CID 143400351

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide?
The IUPAC name of (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide (CID 89381018) is (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide.
What is the SMILES notation for (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide?
The canonical SMILES for (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide is C/C=C(/CCC(=O)N[C@H](Cc1cccc2ccccc12)NC=O)c1ccccc1C.
What is the InChIKey of (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide?
The InChIKey is NGQYZNYYURMHFI-LXFRUGBFSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-20(23-13-6-4-9-19(23)2)15-16-26(30)28-25(27-18-29)17-22-12-8-11-21-10-5-7-14-24(21)22/h3-14,18,25H,15-17H2,1-2H3,(H,27,29)(H,28,30)/b20-3-/t25-/m1/s1.
What are the key properties of (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide?
(Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide has a molecular weight of 400.52 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1R)-1-formamido-2-naphthalen-1-ylethyl]-4-(2-methylphenyl)hex-4-enamide is sourced from PubChem (CID 89381018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).