N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

C30H34Cl2N2O2 — CID 25063028

IUPACN-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C30H34Cl2N2O2/c1-19(2)30(35)33-25-9-5-20(3)27(18-25)23-13-15-34(16-14-23)21(4)22-6-10-26(11-7-22)36-29-12-8-24(31)17-28(29)32/h5-12,17-19,21,23H,13-16H2,1-4H3,(H,33,35)
InChIKeyNHTYWRWZQILFJX-UHFFFAOYSA-N
MW525.52 g/mol
LogP8.63
Rot. Bonds7

About N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 25063028) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
PubChem CID25063028
Molecular FormulaC30H34Cl2N2O2
Molecular Weight525.52 g/mol
Exact Mass524.20
IUPAC NameN-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C30H34Cl2N2O2/c1-19(2)30(35)33-25-9-5-20(3)27(18-25)23-13-15-34(16-14-23)21(4)22-6-10-26(11-7-22)36-29-12-8-24(31)17-28(29)32/h5-12,17-19,21,23H,13-16H2,1-4H3,(H,33,35)
InChIKeyNHTYWRWZQILFJX-UHFFFAOYSA-N
XLogP8.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.52
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide 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

5-chloro-2-[4-(2-methylpropanoylamino)phenoxy]benzoic acid
CID 20648118
N-[3-[1-[[3-chloro-4-(4-chlorophenyl)sulfonylphenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
CID 69116066
N-[3-[1-[3-[[2,2-bis(4-chlorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide;N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-fluorophenyl]-2-methylpropanamide
CID 158942124
(2S)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217627
(2R)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217628
tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
CID 18446887
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
CID 10457091
2-methyl-N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]propanamide
CID 11712292
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630
(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (CID 25063028) is N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is NHTYWRWZQILFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N2O2/c1-19(2)30(35)33-25-9-5-20(3)27(18-25)23-13-15-34(16-14-23)21(4)22-6-10-26(11-7-22)36-29-12-8-24(31)17-28(29)32/h5-12,17-19,21,23H,13-16H2,1-4H3,(H,33,35).
What are the key properties of N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 525.52 g/mol, XLogP of 8.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[1-[4-(2,4-dichlorophenoxy)phenyl]ethyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 25063028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).