(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine

C19H21NO4 — CID 70041111

IUPAC(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)c1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H17N.C4H4O4/c1-15(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;5-3(6)1-2-4(7)8/h2-11H,12,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKEKYGKUCIIBHQL-BTJKTKAUSA-N
MW327.38 g/mol
LogP2.82
Rot. Bonds5

About (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine

(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine (PubChem CID 70041111) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
PubChem CID70041111
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)c1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H17N.C4H4O4/c1-15(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;5-3(6)1-2-4(7)8/h2-11H,12,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKEKYGKUCIIBHQL-BTJKTKAUSA-N
XLogP2.82
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.82
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

but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
3-(2-amino-2-phenylpropyl)benzonitrile;but-2-enedioic acid
CID 67712156
(E)-but-2-enedioic acid;2-(3,4-dimethoxyphenyl)-1-phenylpropan-2-amine
CID 19973000
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
(E)-4,4-dimethyl-5-phenylpent-2-enoic acid
CID 22261491
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine?
The IUPAC name of (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine (CID 70041111) is (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine.
What is the SMILES notation for (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine?
The canonical SMILES for (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine is CC(N)(Cc1ccccc1)c1ccccc1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine?
The InChIKey is KEKYGKUCIIBHQL-BTJKTKAUSA-N. The full InChI is InChI=1S/C15H17N.C4H4O4/c1-15(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;5-3(6)1-2-4(7)8/h2-11H,12,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine?
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine has a molecular weight of 327.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine is sourced from PubChem (CID 70041111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).