N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C15H24N4O — CID 107356184

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C15H24N4O/c1-11(2)19(3)9-8-16-15(20)14-10-17-12-6-4-5-7-13(12)18-14/h4-7,11,14,17-18H,8-10H2,1-3H3,(H,16,20)
InChIKeyHUBGLQDZNQUXRQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds5

About N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356184) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356184
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C15H24N4O/c1-11(2)19(3)9-8-16-15(20)14-10-17-12-6-4-5-7-13(12)18-14/h4-7,11,14,17-18H,8-10H2,1-3H3,(H,16,20)
InChIKeyHUBGLQDZNQUXRQ-UHFFFAOYSA-N
XLogP1.35
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356183
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356189
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 71877483
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356144
N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356148
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356351
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047714
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356184) is N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CC(C)N(C)CCNC(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is HUBGLQDZNQUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)19(3)9-8-16-15(20)14-10-17-12-6-4-5-7-13(12)18-14/h4-7,11,14,17-18H,8-10H2,1-3H3,(H,16,20).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).