N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine

C28H38N4O — CID 142229062

IUPACN-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(NC(=O)CCCc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C17H25NO.C11H13N3/c1-14-10-12-16(13-11-14)18-17(19)9-5-8-15-6-3-2-4-7-15;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19);4-7H,1-3H3
InChIKeyMTADAJBLKDKBRZ-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.71
Rot. Bonds6

About N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine

N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229062) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229062
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC NameN-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(NC(=O)CCCc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C17H25NO.C11H13N3/c1-14-10-12-16(13-11-14)18-17(19)9-5-8-15-6-3-2-4-7-15;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19);4-7H,1-3H3
InChIKeyMTADAJBLKDKBRZ-UHFFFAOYSA-N
XLogP5.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine
CID 142229291
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine;4,4,4-tris(4-chlorophenyl)butan-2-one
CID 142228370
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
1,4-dimethylcyclohexane;1-(3-phenylcinnolin-4-yl)ethanone;N,N,2-trimethylquinazolin-4-amine
CID 142230283
1,1-bis(4-chlorophenyl)propan-2-one;1,4-dimethylcyclohexane;ethane;N,N,2-trimethylquinazolin-4-amine
CID 142228930
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine (CID 142229062) is N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine is CC1CCC(NC(=O)CCCc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is MTADAJBLKDKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.C11H13N3/c1-14-10-12-16(13-11-14)18-17(19)9-5-8-15-6-3-2-4-7-15;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19);4-7H,1-3H3.
What are the key properties of N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine?
N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 446.64 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).