2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide

C23H25N3O2 — CID 108968465

IUPAC2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H25N3O2/c1-15(2)17-11-5-6-12-18(17)25-21(27)23(3,4)22(28)26-19-13-7-9-16-10-8-14-24-20(16)19/h5-15H,1-4H3,(H,25,27)(H,26,28)
InChIKeyAZGZXTSZSACKBC-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.96
Rot. Bonds5

About 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide

2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide (PubChem CID 108968465) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
PubChem CID108968465
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H25N3O2/c1-15(2)17-11-5-6-12-18(17)25-21(27)23(3,4)22(28)26-19-13-7-9-16-10-8-14-24-20(16)19/h5-15H,1-4H3,(H,25,27)(H,26,28)
InChIKeyAZGZXTSZSACKBC-UHFFFAOYSA-N
XLogP4.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
[2-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxo-3-(quinolin-8-ylamino)propyl] 2,2-dimethylpropanoate
CID 156700519
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide
CID 108964021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108970022
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide (CID 108968465) is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide is CC(C)c1ccccc1NC(=O)C(C)(C)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide?
The InChIKey is AZGZXTSZSACKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)17-11-5-6-12-18(17)25-21(27)23(3,4)22(28)26-19-13-7-9-16-10-8-14-24-20(16)19/h5-15H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide?
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide has a molecular weight of 375.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108968465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).