N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C19H26N2O3 — CID 3243989

IUPACN-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCC(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H26N2O3/c1-14(2)10-11-20-18(22)9-6-12-24-17-13-19(23)21(3)16-8-5-4-7-15(16)17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,22)
InChIKeyUIDCWOMTDGDPAX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.86
Rot. Bonds8

About N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 3243989) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID3243989
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCC(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H26N2O3/c1-14(2)10-11-20-18(22)9-6-12-24-17-13-19(23)21(3)16-8-5-4-7-15(16)17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,22)
InChIKeyUIDCWOMTDGDPAX-UHFFFAOYSA-N
XLogP2.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 3243989) is N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is CC(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is UIDCWOMTDGDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)10-11-20-18(22)9-6-12-24-17-13-19(23)21(3)16-8-5-4-7-15(16)17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 330.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 3243989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).