N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C17H25N3O — CID 107356068

IUPACN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-20(12-13-7-3-2-4-8-13)17(21)16-11-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,13,16,18-19H,2-4,7-8,11-12H2,1H3
InChIKeyIAKKTNWDKSFWDP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.93
Rot. Bonds3

About N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356068) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356068
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-20(12-13-7-3-2-4-8-13)17(21)16-11-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,13,16,18-19H,2-4,7-8,11-12H2,1H3
InChIKeyIAKKTNWDKSFWDP-UHFFFAOYSA-N
XLogP2.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356408
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356114
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356107
N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566431
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356032
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356117
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356260

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356068) is N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CN(CC1CCCCC1)C(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is IAKKTNWDKSFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20(12-13-7-3-2-4-8-13)17(21)16-11-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,13,16,18-19H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).