2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one

C27H39N3O2 — CID 69039539

IUPAC2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCN(C)C(c1ccc(C(=O)C(C)(C)N(C)C)cc1)c1ccc(C(=O)C(C)(C)N(C)C)cc1
InChIInChI=1S/C27H39N3O2/c1-26(2,29(7)8)24(31)21-15-11-19(12-16-21)23(28(5)6)20-13-17-22(18-14-20)25(32)27(3,4)30(9)10/h11-18,23H,1-10H3
InChIKeyWTSYYNDSBAQDLT-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.38
Rot. Bonds9

About 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one

2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one (PubChem CID 69039539) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one
PubChem CID69039539
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCN(C)C(c1ccc(C(=O)C(C)(C)N(C)C)cc1)c1ccc(C(=O)C(C)(C)N(C)C)cc1
InChIInChI=1S/C27H39N3O2/c1-26(2,29(7)8)24(31)21-15-11-19(12-16-21)23(28(5)6)20-13-17-22(18-14-20)25(32)27(3,4)30(9)10/h11-18,23H,1-10H3
InChIKeyWTSYYNDSBAQDLT-UHFFFAOYSA-N
XLogP4.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one with MolForge

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Related Compounds

4-[dimethylamino(pyridin-4-yl)methyl]benzoic acid
CID 116908451
4-[dimethylamino(1H-pyrrol-3-yl)methyl]benzoic acid
CID 116908445
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 79047242
4-(1-hydroxy-2,2-dimethylpropyl)benzoic acid
CID 11820369
4-[(1R)-1-(dimethylamino)-2-methylpropyl]benzoic acid
CID 118928762
bis[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl-methylamino]ethyl] oxalate
CID 140510984
2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 81220123
1-[4-[[ethyl(2-hydroxyethyl)amino]-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69034883
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
2-chloro-1-[4-(dibromomethyl)phenyl]-2-methylpropan-1-one
CID 142678282
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
4-[(1S)-1-amino-2,2-dimethylpropyl]benzoic acid
CID 171238860

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one (CID 69039539) is 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one is CN(C)C(c1ccc(C(=O)C(C)(C)N(C)C)cc1)c1ccc(C(=O)C(C)(C)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one?
The InChIKey is WTSYYNDSBAQDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-26(2,29(7)8)24(31)21-15-11-19(12-16-21)23(28(5)6)20-13-17-22(18-14-20)25(32)27(3,4)30(9)10/h11-18,23H,1-10H3.
What are the key properties of 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one?
2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one has a molecular weight of 437.63 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[dimethylamino-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]methyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 69039539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).