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

C27H29N3O2 — CID 42939371

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-3-29(4-2)25(20-12-6-5-7-13-20)18-28-26(31)19-30-23-16-10-8-14-21(23)27(32)22-15-9-11-17-24(22)30/h5-17,25H,3-4,18-19H2,1-2H3,(H,28,31)
InChIKeyYCVMRZAUJLTOKQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.35
Rot. Bonds8

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

N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 42939371) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID42939371
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-3-29(4-2)25(20-12-6-5-7-13-20)18-28-26(31)19-30-23-16-10-8-14-21(23)27(32)22-15-9-11-17-24(22)30/h5-17,25H,3-4,18-19H2,1-2H3,(H,28,31)
InChIKeyYCVMRZAUJLTOKQ-UHFFFAOYSA-N
XLogP4.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.35
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)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43064735
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25488588
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
CID 120528483
2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 43064818
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42883507
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18167146
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 42939371) is N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide is CCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is YCVMRZAUJLTOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-3-29(4-2)25(20-12-6-5-7-13-20)18-28-26(31)19-30-23-16-10-8-14-21(23)27(32)22-15-9-11-17-24(22)30/h5-17,25H,3-4,18-19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 427.55 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 42939371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).