(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid

C21H17NO3 — CID 71054545

IUPAC(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C(\NC(=O)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-20(13-15-10-11-16-6-4-5-9-18(16)12-15)22-19(14-21(24)25)17-7-2-1-3-8-17/h1-12,14H,13H2,(H,22,23)(H,24,25)/b19-14-
InChIKeyRRXPMXMVOZOKPE-RGEXLXHISA-N
MW331.37 g/mol
LogP3.62
Rot. Bonds5

About (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid

(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid (PubChem CID 71054545) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid
PubChem CID71054545
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C(\NC(=O)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-20(13-15-10-11-16-6-4-5-9-18(16)12-15)22-19(14-21(24)25)17-7-2-1-3-8-17/h1-12,14H,13H2,(H,22,23)(H,24,25)/b19-14-
InChIKeyRRXPMXMVOZOKPE-RGEXLXHISA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.62
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

2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
CID 59268445
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
CID 5377898
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
sodium 2-naphthalen-2-ylacetate
CID 23688045
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid (CID 71054545) is (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid is O=C(O)/C=C(\NC(=O)Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid?
The InChIKey is RRXPMXMVOZOKPE-RGEXLXHISA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(13-15-10-11-16-6-4-5-9-18(16)12-15)22-19(14-21(24)25)17-7-2-1-3-8-17/h1-12,14H,13H2,(H,22,23)(H,24,25)/b19-14-.
What are the key properties of (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid?
(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid has a molecular weight of 331.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid is sourced from PubChem (CID 71054545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).