N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C26H31N3O3 — CID 20949232

IUPACN-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN1CCCc2cc(CN(C(=O)Cn3c(=O)oc4ccccc43)C3CCCC3)ccc21
InChIInChI=1S/C26H31N3O3/c1-2-27-15-7-8-20-16-19(13-14-22(20)27)17-28(21-9-3-4-10-21)25(30)18-29-23-11-5-6-12-24(23)32-26(29)31/h5-6,11-14,16,21H,2-4,7-10,15,17-18H2,1H3
InChIKeyXDTKKTMQVWNUFZ-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 20949232) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID20949232
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN1CCCc2cc(CN(C(=O)Cn3c(=O)oc4ccccc43)C3CCCC3)ccc21
InChIInChI=1S/C26H31N3O3/c1-2-27-15-7-8-20-16-19(13-14-22(20)27)17-28(21-9-3-4-10-21)25(30)18-29-23-11-5-6-12-24(23)32-26(29)31/h5-6,11-14,16,21H,2-4,7-10,15,17-18H2,1H3
InChIKeyXDTKKTMQVWNUFZ-UHFFFAOYSA-N
XLogP4.34
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 20949232) is N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCN1CCCc2cc(CN(C(=O)Cn3c(=O)oc4ccccc43)C3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is XDTKKTMQVWNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-27-15-7-8-20-16-19(13-14-22(20)27)17-28(21-9-3-4-10-21)25(30)18-29-23-11-5-6-12-24(23)32-26(29)31/h5-6,11-14,16,21H,2-4,7-10,15,17-18H2,1H3.
What are the key properties of N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 433.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 20949232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).