4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine

C31H43N5O2 — CID 142230377

IUPAC4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNC(=O)C2CN(Cc3ccccc3)CCO2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C20H30N2O2.C11H13N3/c1-16-7-9-17(10-8-16)13-21-20(23)19-15-22(11-12-24-19)14-18-5-3-2-4-6-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-6,16-17,19H,7-15H2,1H3,(H,21,23);4-7H,1-3H3
InChIKeyZVOYJCKPFPKTHX-UHFFFAOYSA-N
MW517.72 g/mol
LogP4.83
Rot. Bonds6

About 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine

4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230377) has the molecular formula C31H43N5O2 and a molecular weight of 517.72 g/mol. Its IUPAC name is 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230377
Molecular FormulaC31H43N5O2
Molecular Weight517.72 g/mol
Exact Mass517.34
IUPAC Name4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNC(=O)C2CN(Cc3ccccc3)CCO2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C20H30N2O2.C11H13N3/c1-16-7-9-17(10-8-16)13-21-20(23)19-15-22(11-12-24-19)14-18-5-3-2-4-6-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-6,16-17,19H,7-15H2,1H3,(H,21,23);4-7H,1-3H3
InChIKeyZVOYJCKPFPKTHX-UHFFFAOYSA-N
XLogP4.83
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine with MolForge

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Related Compounds

2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230001
N-[(4-methylcyclohexyl)methyl]-2-(2,3,6-trichlorophenyl)ethanamine;N,N,2-trimethylquinazolin-4-amine
CID 142228957
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine (CID 142230377) is 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNC(=O)C2CN(Cc3ccccc3)CCO2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is ZVOYJCKPFPKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C11H13N3/c1-16-7-9-17(10-8-16)13-21-20(23)19-15-22(11-12-24-19)14-18-5-3-2-4-6-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-6,16-17,19H,7-15H2,1H3,(H,21,23);4-7H,1-3H3.
What are the key properties of 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine?
4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 517.72 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).