N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine

C30H42N4O2 — CID 142230983

IUPACN-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
SMILESCCC1CCC(CNC(=O)CCCOc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C19H29NO2.C11H13N3/c1-2-16-10-12-17(13-11-16)15-20-19(21)9-6-14-22-18-7-4-3-5-8-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-5,7-8,16-17H,2,6,9-15H2,1H3,(H,20,21);4-7H,1-3H3
InChIKeyXIMUYCWABHDUBS-UHFFFAOYSA-N
MW490.69 g/mol
LogP6.18
Rot. Bonds9

About N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine

N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230983) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230983
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
SMILESCCC1CCC(CNC(=O)CCCOc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C19H29NO2.C11H13N3/c1-2-16-10-12-17(13-11-16)15-20-19(21)9-6-14-22-18-7-4-3-5-8-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-5,7-8,16-17H,2,6,9-15H2,1H3,(H,20,21);4-7H,1-3H3
InChIKeyXIMUYCWABHDUBS-UHFFFAOYSA-N
XLogP6.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
(1E)-1-[(3E)-3-ethylideneinden-1-ylidene]propan-2-one;1-ethyl-4-methylcyclohexane;prop-1-ene;N,N,2-trimethylquinazolin-4-amine
CID 142229653
N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142229062
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142228408
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
CID 142228886

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine (CID 142230983) is N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine is CCC1CCC(CNC(=O)CCCOc2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is XIMUYCWABHDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.C11H13N3/c1-2-16-10-12-17(13-11-16)15-20-19(21)9-6-14-22-18-7-4-3-5-8-18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-5,7-8,16-17H,2,6,9-15H2,1H3,(H,20,21);4-7H,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine?
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 490.69 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).