2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid

C21H24N2O6 — CID 67712356

IUPAC2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
SMILESCC(Cc1ccccc1)(NC(=O)CN)c1ccc(O)cc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C17H20N2O2.C4H4O4/c1-17(19-16(21)12-18,11-13-5-3-2-4-6-13)14-7-9-15(20)10-8-14;5-3(6)1-2-4(7)8/h2-10,20H,11-12,18H2,1H3,(H,19,21);1-2H,(H,5,6)(H,7,8)
InChIKeyPHVHUIIZPDHZDK-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.64
Rot. Bonds7

About 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid

2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid (PubChem CID 67712356) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid.

Molecular Properties

Compound Name2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
PubChem CID67712356
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
SMILESCC(Cc1ccccc1)(NC(=O)CN)c1ccc(O)cc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C17H20N2O2.C4H4O4/c1-17(19-16(21)12-18,11-13-5-3-2-4-6-13)14-7-9-15(20)10-8-14;5-3(6)1-2-4(7)8/h2-10,20H,11-12,18H2,1H3,(H,19,21);1-2H,(H,5,6)(H,7,8)
InChIKeyPHVHUIIZPDHZDK-UHFFFAOYSA-N
XLogP1.64
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712194
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-amino-N-[2-(2-methylphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115321
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide
CID 15115334
(2S)-2-[(2-aminoacetyl)amino]-N-(1,2-diphenylpropan-2-yl)propanamide
CID 18635159
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
2-amino-N-[2-[1,2-bis(4-fluorophenyl)propan-2-ylamino]-2-oxoethyl]acetamide
CID 19848167
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid?
The IUPAC name of 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid (CID 67712356) is 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid.
What is the SMILES notation for 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid?
The canonical SMILES for 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid is CC(Cc1ccccc1)(NC(=O)CN)c1ccc(O)cc1.O=C(O)C=CC(=O)O.
What is the InChIKey of 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid?
The InChIKey is PHVHUIIZPDHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C4H4O4/c1-17(19-16(21)12-18,11-13-5-3-2-4-6-13)14-7-9-15(20)10-8-14;5-3(6)1-2-4(7)8/h2-10,20H,11-12,18H2,1H3,(H,19,21);1-2H,(H,5,6)(H,7,8).
What are the key properties of 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid?
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid has a molecular weight of 400.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid is sourced from PubChem (CID 67712356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).