N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide

C26H27N3O2 — CID 52553414

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-4-28(17-19-13-15-20(16-14-19)27(2)3)25(30)18-29-23-11-7-5-9-21(23)26(31)22-10-6-8-12-24(22)29/h5-16H,4,17-18H2,1-3H3
InChIKeyHGSJGYZSFXRYFF-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.27
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 52553414) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
PubChem CID52553414
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-4-28(17-19-13-15-20(16-14-19)27(2)3)25(30)18-29-23-11-7-5-9-21(23)26(31)22-10-6-8-12-24(22)29/h5-16H,4,17-18H2,1-3H3
InChIKeyHGSJGYZSFXRYFF-UHFFFAOYSA-N
XLogP4.27
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60598710
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
CID 38744100
N-methyl-N-(naphthalen-2-ylmethyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16621695
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 25348614
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 60524661
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide (CID 52553414) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is HGSJGYZSFXRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-4-28(17-19-13-15-20(16-14-19)27(2)3)25(30)18-29-23-11-7-5-9-21(23)26(31)22-10-6-8-12-24(22)29/h5-16H,4,17-18H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 52553414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).