N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide

C28H31N3O2 — CID 43063424

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-3-30(4-2)22(18-21-12-6-5-7-13-21)19-29-27(32)20-31-25-16-10-8-14-23(25)28(33)24-15-9-11-17-26(24)31/h5-17,22H,3-4,18-20H2,1-2H3,(H,29,32)
InChIKeyWTMJJWWEIKODKS-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.22
Rot. Bonds9

About N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 43063424) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID43063424
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-3-30(4-2)22(18-21-12-6-5-7-13-21)19-29-27(32)20-31-25-16-10-8-14-23(25)28(33)24-15-9-11-17-26(24)31/h5-17,22H,3-4,18-20H2,1-2H3,(H,29,32)
InChIKeyWTMJJWWEIKODKS-UHFFFAOYSA-N
XLogP4.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)propyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46433015
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43064735
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
CID 120528483
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 43064818
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25488588
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide (CID 43063424) is N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide is CCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is WTMJJWWEIKODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-3-30(4-2)22(18-21-12-6-5-7-13-21)19-29-27(32)20-31-25-16-10-8-14-23(25)28(33)24-15-9-11-17-26(24)31/h5-17,22H,3-4,18-20H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 441.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 43063424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).