2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid

C24H21NO2 — CID 18517051

IUPAC2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid
SMILESCN(C/C=C(/C#Cc1cccc2ccccc12)c1ccccc1)CC(=O)O
InChIInChI=1S/C24H21NO2/c1-25(18-24(26)27)17-16-20(19-8-3-2-4-9-19)14-15-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16H,17-18H2,1H3,(H,26,27)/b20-16-
InChIKeyDIAWDCJXECNMKZ-SILNSSARSA-N
MW355.44 g/mol
LogP4.29
Rot. Bonds5

About 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid

2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid (PubChem CID 18517051) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid
PubChem CID18517051
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid
SMILESCN(C/C=C(/C#Cc1cccc2ccccc12)c1ccccc1)CC(=O)O
InChIInChI=1S/C24H21NO2/c1-25(18-24(26)27)17-16-20(19-8-3-2-4-9-19)14-15-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16H,17-18H2,1H3,(H,26,27)/b20-16-
InChIKeyDIAWDCJXECNMKZ-SILNSSARSA-N
XLogP4.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 73448058
2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 18517080
2-[methyl-[3-phenyl-5-(4-propylphenyl)pent-2-en-4-ynyl]amino]acetic acid
CID 85040478
2-[methyl-[3-phenyl-5-(4-thiophen-3-ylphenyl)pent-2-en-4-ynyl]amino]acetic acid
CID 85045559
2-[[3-(4-fluorophenyl)-5-trimethylsilylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 90797501
2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide
CID 143247598
2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10109533
2-[[3-(2-chlorophenyl)-5-(4-propylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 85336220
2-[3-(4-fluorophenyl)pent-2-en-4-ynyl-methylamino]acetic acid
CID 90858503
2-[[3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid;2-[methyl-[5-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid
CID 162092414
(3E)-3-benzylidene-5-naphthalen-1-ylpent-4-yn-2-one
CID 139250713
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid (CID 18517051) is 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid is CN(C/C=C(/C#Cc1cccc2ccccc12)c1ccccc1)CC(=O)O.
What is the InChIKey of 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid?
The InChIKey is DIAWDCJXECNMKZ-SILNSSARSA-N. The full InChI is InChI=1S/C24H21NO2/c1-25(18-24(26)27)17-16-20(19-8-3-2-4-9-19)14-15-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16H,17-18H2,1H3,(H,26,27)/b20-16-.
What are the key properties of 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid?
2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid is sourced from PubChem (CID 18517051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).