N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide

C30H39Cl2NO2 — CID 169187571

IUPACN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide
SMILESCN(C(=O)C(C)(C)CC(C)(C)C(=O)C(C)(C)C)C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C30H39Cl2NO2/c1-28(2,3)26(34)29(4,5)18-30(6,7)27(35)33(8)25-16-14-20(21-11-9-10-12-22(21)25)19-13-15-23(31)24(32)17-19/h9-13,15,17,20,25H,14,16,18H2,1-8H3
InChIKeyCUTDCDULLNVFJJ-UHFFFAOYSA-N
MW516.55 g/mol
LogP8.48
Rot. Bonds6

About N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide

N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide (PubChem CID 169187571) has the molecular formula C30H39Cl2NO2 and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide
PubChem CID169187571
Molecular FormulaC30H39Cl2NO2
Molecular Weight516.55 g/mol
Exact Mass515.24
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide
SMILESCN(C(=O)C(C)(C)CC(C)(C)C(=O)C(C)(C)C)C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C30H39Cl2NO2/c1-28(2,3)26(34)29(4,5)18-30(6,7)27(35)33(8)25-16-14-20(21-11-9-10-12-22(21)25)19-13-15-23(31)24(32)17-19/h9-13,15,17,20,25H,14,16,18H2,1-8H3
InChIKeyCUTDCDULLNVFJJ-UHFFFAOYSA-N
XLogP8.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide 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

(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide
CID 171044366
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
1-chloroethyl N-[(4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylcarbamate
CID 126702708
[7-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylamino]-7-oxoheptyl]-triphenylphosphanium
CID 171423617
4-[1-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxyethoxy]-4-oxobutanoic acid
CID 135312082
2,2,2-trichloroethyl N-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylsulfamate
CID 138531910
2-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-iodoamino]ethane-1,1-diol
CID 143944715
ethyl 3-benzyl-4-[[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylamino]butanoate
CID 166444143
[14-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylamino]-7,14-dioxotetradecyl] methyl hydrogen phosphate
CID 159149776
methyl (5S,8S)-5-(3,4-dichlorophenyl)-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 59143820
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
N'-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N'-methyloxamide
CID 166353730

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide (CID 169187571) is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide is CN(C(=O)C(C)(C)CC(C)(C)C(=O)C(C)(C)C)C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide?
The InChIKey is CUTDCDULLNVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39Cl2NO2/c1-28(2,3)26(34)29(4,5)18-30(6,7)27(35)33(8)25-16-14-20(21-11-9-10-12-22(21)25)19-13-15-23(31)24(32)17-19/h9-13,15,17,20,25H,14,16,18H2,1-8H3.
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide?
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide has a molecular weight of 516.55 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide is sourced from PubChem (CID 169187571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).