N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene

C35H54N2O — CID 143745669

IUPACN-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene
SMILESC=C.C=C/C=C\CC.CC.CC(CCN(C)CCC(c1ccccc1)c1ccccc1)CC1=NC(C)CO1
InChIInChI=1S/C25H34N2O.C6H10.C2H6.C2H4/c1-20(18-25-26-21(2)19-28-25)14-16-27(3)17-15-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-3-5-6-4-2;2*1-2/h4-13,20-21,24H,14-19H2,1-3H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2/b;6-5-;;
InChIKeyCKFMIZYXSZDRFP-IMZIEXLQSA-N
MW518.83 g/mol
LogP9.34
Rot. Bonds12

About N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene

N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene (PubChem CID 143745669) has the molecular formula C35H54N2O and a molecular weight of 518.83 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene
PubChem CID143745669
Molecular FormulaC35H54N2O
Molecular Weight518.83 g/mol
Exact Mass518.42
IUPAC NameN-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene
SMILESC=C.C=C/C=C\CC.CC.CC(CCN(C)CCC(c1ccccc1)c1ccccc1)CC1=NC(C)CO1
InChIInChI=1S/C25H34N2O.C6H10.C2H6.C2H4/c1-20(18-25-26-21(2)19-28-25)14-16-27(3)17-15-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-3-5-6-4-2;2*1-2/h4-13,20-21,24H,14-19H2,1-3H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2/b;6-5-;;
InChIKeyCKFMIZYXSZDRFP-IMZIEXLQSA-N
XLogP9.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.83
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine
CID 134875177
1-[3-(diethylamino)-6-phenylhexoxy]-N,N-diethyl-6-phenylhexan-3-amine
CID 69826354
4-(1-Phenylethyl)-2-[1-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]pentyl]-4,5-dihydro-1,3-oxazole
CID 69978573
2-[[1-(3-Cyclohexa-1,5-dien-1-yl-3-phenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 71035333
2-[[1-(3,3-Diphenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 91073470
(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-2-[[(4R)-5-propan-2-yl-4-[(3-propan-2-ylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 91291616
4-benzyl-2-[(2R,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole
CID 123775301
7-Pentyl-8-[4-(4-phenylpiperidin-1-yl)butoxy]-7-azoniabicyclo[4.3.1]dec-7-ene
CID 123977355
4-Benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole
CID 140568126
(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
CID 141073402
(4S)-4-(3-phenylpropyl)-2-[1-[(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-3-piperidin-1-ylpropyl]-4,5-dihydro-1,3-oxazole
CID 141073403

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene?
The IUPAC name of N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene (CID 143745669) is N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene.
What is the SMILES notation for N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene?
The canonical SMILES for N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene is C=C.C=C/C=C\CC.CC.CC(CCN(C)CCC(c1ccccc1)c1ccccc1)CC1=NC(C)CO1.
What is the InChIKey of N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene?
The InChIKey is CKFMIZYXSZDRFP-IMZIEXLQSA-N. The full InChI is InChI=1S/C25H34N2O.C6H10.C2H6.C2H4/c1-20(18-25-26-21(2)19-28-25)14-16-27(3)17-15-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-3-5-6-4-2;2*1-2/h4-13,20-21,24H,14-19H2,1-3H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2/b;6-5-;;.
What are the key properties of N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene?
N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene has a molecular weight of 518.83 g/mol, XLogP of 9.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-N,3-dimethyl-4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-1-amine;ethane;ethene;(3Z)-hexa-1,3-diene is sourced from PubChem (CID 143745669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).