N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C29H32N2O2 — CID 2835229

IUPACN-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H32N2O2/c1-20-19-27(31(21(2)32)24-11-7-6-8-12-24)25-13-9-10-14-26(25)30(20)28(33)22-15-17-23(18-16-22)29(3,4)5/h6-18,20,27H,19H2,1-5H3
InChIKeyFJUIADLFVDKJAP-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.52
Rot. Bonds3

About N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 2835229) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID2835229
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H32N2O2/c1-20-19-27(31(21(2)32)24-11-7-6-8-12-24)25-13-9-10-14-26(25)30(20)28(33)22-15-17-23(18-16-22)29(3,4)5/h6-18,20,27H,19H2,1-5H3
InChIKeyFJUIADLFVDKJAP-UHFFFAOYSA-N
XLogP6.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 2835229) is N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is FJUIADLFVDKJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-20-19-27(31(21(2)32)24-11-7-6-8-12-24)25-13-9-10-14-26(25)30(20)28(33)22-15-17-23(18-16-22)29(3,4)5/h6-18,20,27H,19H2,1-5H3.
What are the key properties of N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 440.59 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2835229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).