but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine

C20H23NO5 — CID 67712155

IUPACbut-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
SMILESCOc1ccc(C(C)(N)Cc2ccccc2)cc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C16H19NO.C4H4O4/c1-16(17,12-13-6-4-3-5-7-13)14-8-10-15(18-2)11-9-14;5-3(6)1-2-4(7)8/h3-11H,12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChIKeyHCWJAWQALOWWTM-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.82
Rot. Bonds6

About but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine

but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine (PubChem CID 67712155) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Namebut-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
PubChem CID67712155
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namebut-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
SMILESCOc1ccc(C(C)(N)Cc2ccccc2)cc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C16H19NO.C4H4O4/c1-16(17,12-13-6-4-3-5-7-13)14-8-10-15(18-2)11-9-14;5-3(6)1-2-4(7)8/h3-11H,12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChIKeyHCWJAWQALOWWTM-UHFFFAOYSA-N
XLogP2.82
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
(E)-but-2-enedioic acid;2-(3,4-dimethoxyphenyl)-1-phenylpropan-2-amine
CID 19973000
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
3-(2-amino-2-phenylpropyl)benzonitrile;but-2-enedioic acid
CID 67712156
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine?
The IUPAC name of but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine (CID 67712155) is but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine.
What is the SMILES notation for but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine?
The canonical SMILES for but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine is COc1ccc(C(C)(N)Cc2ccccc2)cc1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine?
The InChIKey is HCWJAWQALOWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C4H4O4/c1-16(17,12-13-6-4-3-5-7-13)14-8-10-15(18-2)11-9-14;5-3(6)1-2-4(7)8/h3-11H,12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine?
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine has a molecular weight of 357.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 67712155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).