N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C21H28N4O2 — CID 156606294

IUPACN-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NC1CCC1NC1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20(24-18-11-10-17(18)22-14-6-2-1-3-7-14)13-12-19-21(27)25-16-9-5-4-8-15(16)23-19/h4-5,8-9,14,17-18,22H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)
InChIKeyAMBYAULOLLNQDA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 156606294) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID156606294
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NC1CCC1NC1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20(24-18-11-10-17(18)22-14-6-2-1-3-7-14)13-12-19-21(27)25-16-9-5-4-8-15(16)23-19/h4-5,8-9,14,17-18,22H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)
InChIKeyAMBYAULOLLNQDA-UHFFFAOYSA-N
XLogP2.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclohexylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164724
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 95860224
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 82177043

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 156606294) is N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)NC1CCC1NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is AMBYAULOLLNQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-18-11-10-17(18)22-14-6-2-1-3-7-14)13-12-19-21(27)25-16-9-5-4-8-15(16)23-19/h4-5,8-9,14,17-18,22H,1-3,6-7,10-13H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)cyclobutyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 156606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).