N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide

C22H29N3O2 — CID 54845496

IUPACN,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-12-16(2)22(17(3)13-15)24-20(26)14-23-19-9-6-18(7-10-19)8-11-21(27)25(4)5/h6-7,9-10,12-13,23H,8,11,14H2,1-5H3,(H,24,26)
InChIKeyRBKAKQKPRHOLGU-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.68
Rot. Bonds7

About N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide

N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide (PubChem CID 54845496) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
PubChem CID54845496
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-12-16(2)22(17(3)13-15)24-20(26)14-23-19-9-6-18(7-10-19)8-11-21(27)25(4)5/h6-7,9-10,12-13,23H,8,11,14H2,1-5H3,(H,24,26)
InChIKeyRBKAKQKPRHOLGU-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845563
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845631
N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
CID 54845795
3-[4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845953

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide (CID 54845496) is N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide is Cc1cc(C)c(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)c(C)c1.
What is the InChIKey of N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is RBKAKQKPRHOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-12-16(2)22(17(3)13-15)24-20(26)14-23-19-9-6-18(7-10-19)8-11-21(27)25(4)5/h6-7,9-10,12-13,23H,8,11,14H2,1-5H3,(H,24,26).
What are the key properties of N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54845496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).