3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide

C43H57ClN4O2 — CID 161061028

IUPAC3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)c(C)c1.Cc1ccc(Cl)c(C)c1C(=O)NC(c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C22H30N2O.C21H27ClN2O/c1-15-13-16(2)19(17(3)14-15)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18;1-14-12-13-17(22)15(2)18(14)20(25)23-19(21(3,4)24(5)6)16-10-8-7-9-11-16/h8-14,20H,1-7H3,(H,23,25);7-13,19H,1-6H3,(H,23,25)
InChIKeyUDJXGHMKNFWVSK-UHFFFAOYSA-N
MW697.41 g/mol
LogP9.19
Rot. Bonds10

About 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide

3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide (PubChem CID 161061028) has the molecular formula C43H57ClN4O2 and a molecular weight of 697.41 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide
PubChem CID161061028
Molecular FormulaC43H57ClN4O2
Molecular Weight697.41 g/mol
Exact Mass696.42
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)c(C)c1.Cc1ccc(Cl)c(C)c1C(=O)NC(c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C22H30N2O.C21H27ClN2O/c1-15-13-16(2)19(17(3)14-15)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18;1-14-12-13-17(22)15(2)18(14)20(25)23-19(21(3,4)24(5)6)16-10-8-7-9-11-16/h8-14,20H,1-7H3,(H,23,25);7-13,19H,1-6H3,(H,23,25)
InChIKeyUDJXGHMKNFWVSK-UHFFFAOYSA-N
XLogP9.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.41
LogP ≤ 59.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide 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

N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 11558867
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide
CID 143249853
2,4-dichloro-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11509669
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2-propylbenzamide
CID 11544630
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide
CID 143249841
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
4-chloro-N-(2,2-dimethyl-1-phenylpropyl)-3-methylsulfonylbenzamide
CID 55643084
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 142643393
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide (CID 161061028) is 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)c(C)c1.Cc1ccc(Cl)c(C)c1C(=O)NC(c1ccccc1)C(C)(C)N(C)C.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide?
The InChIKey is UDJXGHMKNFWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.C21H27ClN2O/c1-15-13-16(2)19(17(3)14-15)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18;1-14-12-13-17(22)15(2)18(14)20(25)23-19(21(3,4)24(5)6)16-10-8-7-9-11-16/h8-14,20H,1-7H3,(H,23,25);7-13,19H,1-6H3,(H,23,25).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide?
3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide has a molecular weight of 697.41 g/mol, XLogP of 9.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 161061028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).