[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine

C29H38N4O3 — CID 142229573

IUPAC[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
SMILESCC(=O)OC(C(=O)NCC1CCC(C)CC1)c1ccccc1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H25NO3.C11H13N3/c1-13-8-10-15(11-9-13)12-19-18(21)17(22-14(2)20)16-6-4-3-5-7-16;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21);4-7H,1-3H3
InChIKeyCUHYSYFCQGZCEF-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.24
Rot. Bonds6

About [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine

[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229573) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229573
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
SMILESCC(=O)OC(C(=O)NCC1CCC(C)CC1)c1ccccc1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H25NO3.C11H13N3/c1-13-8-10-15(11-9-13)12-19-18(21)17(22-14(2)20)16-6-4-3-5-7-16;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21);4-7H,1-3H3
InChIKeyCUHYSYFCQGZCEF-UHFFFAOYSA-N
XLogP5.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;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
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142228408
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-methoxy-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 162309203
1,1-bis(4-chlorophenyl)propan-2-one;1,4-dimethylcyclohexane;ethane;N,N,2-trimethylquinazolin-4-amine
CID 142228930
4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142230377
ethene;1-(4-fluorophenyl)-4-[(4-methylcyclohexyl)methylamino]butan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142229180

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine (CID 142229573) is [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine is CC(=O)OC(C(=O)NCC1CCC(C)CC1)c1ccccc1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is CUHYSYFCQGZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.C11H13N3/c1-13-8-10-15(11-9-13)12-19-18(21)17(22-14(2)20)16-6-4-3-5-7-16;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21);4-7H,1-3H3.
What are the key properties of [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine?
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 490.65 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).