N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide

C22H29N3O2 — CID 54823352

IUPACN,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)19-10-5-6-11-20(19)23-15-21(26)24-18-9-7-8-17(14-18)12-13-22(27)25(3)4/h5-11,14,16,23H,12-13,15H2,1-4H3,(H,24,26)
InChIKeyUMWXAXLDVGEHMU-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.88
Rot. Bonds8

About N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide

N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54823352) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54823352
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)19-10-5-6-11-20(19)23-15-21(26)24-18-9-7-8-17(14-18)12-13-22(27)25(3)4/h5-11,14,16,23H,12-13,15H2,1-4H3,(H,24,26)
InChIKeyUMWXAXLDVGEHMU-UHFFFAOYSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825729
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide (CID 54823352) is N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide is CC(C)c1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is UMWXAXLDVGEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)19-10-5-6-11-20(19)23-15-21(26)24-18-9-7-8-17(14-18)12-13-22(27)25(3)4/h5-11,14,16,23H,12-13,15H2,1-4H3,(H,24,26).
What are the key properties of N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54823352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).