N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

C24H22N4O — CID 42158735

IUPACN-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1cccc2ccccc12
InChIInChI=1S/C24H22N4O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-24(29)23-17-28(27-26-23)16-8-11-19-9-3-2-4-10-19/h2-15,17-18H,16H2,1H3,(H,25,29)/b11-8+/t18-/m0/s1
InChIKeyZGGJNXDNAJSQNY-MZEUMTGBSA-N
MW382.47 g/mol
LogP4.64
Rot. Bonds6

About N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (PubChem CID 42158735) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
PubChem CID42158735
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1cccc2ccccc12
InChIInChI=1S/C24H22N4O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-24(29)23-17-28(27-26-23)16-8-11-19-9-3-2-4-10-19/h2-15,17-18H,16H2,1H3,(H,25,29)/b11-8+/t18-/m0/s1
InChIKeyZGGJNXDNAJSQNY-MZEUMTGBSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide
CID 171138249
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 42592532
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[(1S)-1-naphthalen-1-ylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621819
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 142966363

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (CID 42158735) is N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is C[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The InChIKey is ZGGJNXDNAJSQNY-MZEUMTGBSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-24(29)23-17-28(27-26-23)16-8-11-19-9-3-2-4-10-19/h2-15,17-18H,16H2,1H3,(H,25,29)/b11-8+/t18-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is sourced from PubChem (CID 42158735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).