N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C28H28N2O3 — CID 11524996

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3c(c2)CCO3)c2ccccc21
InChIInChI=1S/C28H28N2O3/c1-3-27(31)30(22-9-5-4-6-10-22)25-17-19(2)29(24-12-8-7-11-23(24)25)28(32)21-13-14-26-20(18-21)15-16-33-26/h4-14,18-19,25H,3,15-17H2,1-2H3
InChIKeyITXDKWHZPZQHSI-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.54
Rot. Bonds4

About N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 11524996) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID11524996
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3c(c2)CCO3)c2ccccc21
InChIInChI=1S/C28H28N2O3/c1-3-27(31)30(22-9-5-4-6-10-22)25-17-19(2)29(24-12-8-7-11-23(24)25)28(32)21-13-14-26-20(18-21)15-16-33-26/h4-14,18-19,25H,3,15-17H2,1-2H3
InChIKeyITXDKWHZPZQHSI-UHFFFAOYSA-N
XLogP5.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 11524996) is N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3c(c2)CCO3)c2ccccc21.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is ITXDKWHZPZQHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-3-27(31)30(22-9-5-4-6-10-22)25-17-19(2)29(24-12-8-7-11-23(24)25)28(32)21-13-14-26-20(18-21)15-16-33-26/h4-14,18-19,25H,3,15-17H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 440.54 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 11524996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).