N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C27H29N3O3 — CID 68558251

IUPACN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)CCOc1ccc(C(C)(C)NC(=O)c2ccc3c(=O)c4ccccc4[nH]c3c2)cc1
InChIInChI=1S/C27H29N3O3/c1-27(2,19-10-12-20(13-11-19)33-16-15-30(3)4)29-26(32)18-9-14-22-24(17-18)28-23-8-6-5-7-21(23)25(22)31/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyZZOHWMBHONLHIN-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.29
Rot. Bonds7

About N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 68558251) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID68558251
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)CCOc1ccc(C(C)(C)NC(=O)c2ccc3c(=O)c4ccccc4[nH]c3c2)cc1
InChIInChI=1S/C27H29N3O3/c1-27(2,19-10-12-20(13-11-19)33-16-15-30(3)4)29-26(32)18-9-14-22-24(17-18)28-23-8-6-5-7-21(23)25(22)31/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyZZOHWMBHONLHIN-UHFFFAOYSA-N
XLogP4.29
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-amine;N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 158132438
3-[1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-ylamino]ethenyl]-10H-acridin-9-one
CID 148779176
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558236
N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68561679
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 59019210
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
2-fluoro-N-[2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68560319
N-[2-[6-(dimethylamino)-3-pyridinyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 16748529

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 68558251) is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is CN(C)CCOc1ccc(C(C)(C)NC(=O)c2ccc3c(=O)c4ccccc4[nH]c3c2)cc1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is ZZOHWMBHONLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-27(2,19-10-12-20(13-11-19)33-16-15-30(3)4)29-26(32)18-9-14-22-24(17-18)28-23-8-6-5-7-21(23)25(22)31/h5-14,17H,15-16H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 68558251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).