N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide

C16H26N2O2 — CID 66794619

IUPACN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C16H26N2O2/c1-2-6-15(19)17-11-10-16(20)18-12-5-8-13-7-3-4-9-14(13)18/h9,13H,2-8,10-12H2,1H3,(H,17,19)
InChIKeyIYTFPBIKRFTFAZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide

N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide (PubChem CID 66794619) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide.

Molecular Properties

Compound NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide
PubChem CID66794619
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C16H26N2O2/c1-2-6-15(19)17-11-10-16(20)18-12-5-8-13-7-3-4-9-14(13)18/h9,13H,2-8,10-12H2,1H3,(H,17,19)
InChIKeyIYTFPBIKRFTFAZ-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide?
The IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide (CID 66794619) is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide.
What is the SMILES notation for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide?
The canonical SMILES for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide is CCCC(=O)NCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide?
The InChIKey is IYTFPBIKRFTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-6-15(19)17-11-10-16(20)18-12-5-8-13-7-3-4-9-14(13)18/h9,13H,2-8,10-12H2,1H3,(H,17,19).
What are the key properties of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide?
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]butanamide is sourced from PubChem (CID 66794619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).