N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide

C24H26N2O3 — CID 78837535

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-25(2)20-8-4-19(5-9-20)17-26(21-10-14-23(29-3)15-11-21)24(28)16-18-6-12-22(27)13-7-18/h4-15,27H,16-17H2,1-3H3
InChIKeyPTBDYQNQMAUGKG-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.24
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 78837535) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
PubChem CID78837535
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-25(2)20-8-4-19(5-9-20)17-26(21-10-14-23(29-3)15-11-21)24(28)16-18-6-12-22(27)13-7-18/h4-15,27H,16-17H2,1-3H3
InChIKeyPTBDYQNQMAUGKG-UHFFFAOYSA-N
XLogP4.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamoyl chloride
CID 164739560
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 78813348
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide (CID 78837535) is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is PTBDYQNQMAUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25(2)20-8-4-19(5-9-20)17-26(21-10-14-23(29-3)15-11-21)24(28)16-18-6-12-22(27)13-7-18/h4-15,27H,16-17H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 78837535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).