N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C16H23N3O2 — CID 62849738

IUPACN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19(10-15(17)20)16(21)13-5-3-7-14-12(13)6-4-8-18-14/h3,5,7,11,18H,4,6,8-10H2,1-2H3,(H2,17,20)
InChIKeyYWDQWDDVESNWDN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.63
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62849738) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62849738
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19(10-15(17)20)16(21)13-5-3-7-14-12(13)6-4-8-18-14/h3,5,7,11,18H,4,6,8-10H2,1-2H3,(H2,17,20)
InChIKeyYWDQWDDVESNWDN-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62849738) is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is YWDQWDDVESNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)9-19(10-15(17)20)16(21)13-5-3-7-14-12(13)6-4-8-18-14/h3,5,7,11,18H,4,6,8-10H2,1-2H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62849738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).