2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid

C18H16N2O4 — CID 13436685

IUPAC2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16(22)12-19-18(24)15(11-13-7-3-1-4-8-13)20-17(23)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,24)(H,20,23)(H,21,22)/b15-11-
InChIKeyQSACMLUENTXYHD-PTNGSMBKSA-N
MW324.34 g/mol
LogP1.66
Rot. Bonds6

About 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid

2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid (PubChem CID 13436685) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
PubChem CID13436685
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16(22)12-19-18(24)15(11-13-7-3-1-4-8-13)20-17(23)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,24)(H,20,23)(H,21,22)/b15-11-
InChIKeyQSACMLUENTXYHD-PTNGSMBKSA-N
XLogP1.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
CID 3126165
2-[[2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
CID 2909548
6-[(2-benzamido-3-phenylprop-2-enoyl)amino]hexanoic acid
CID 3143045
2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetic acid
CID 2853606
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 124657330
2-[[(E)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]acetate
CID 7032257
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285
6-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid
CID 22301297

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid (CID 13436685) is 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid is O=C(O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid?
The InChIKey is QSACMLUENTXYHD-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16(22)12-19-18(24)15(11-13-7-3-1-4-8-13)20-17(23)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,24)(H,20,23)(H,21,22)/b15-11-.
What are the key properties of 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid?
2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 13436685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).