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

C22H29N3O2 — CID 54812065

IUPACN,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-11-16(2)22(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)9-10-21(27)25(4)5/h6-8,11-13,23H,9-10,14H2,1-5H3,(H,24,26)
InChIKeyCWDANKAJWFSONK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.68
Rot. Bonds7

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

N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54812065) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54812065
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-11-16(2)22(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)9-10-21(27)25(4)5/h6-8,11-13,23H,9-10,14H2,1-5H3,(H,24,26)
InChIKeyCWDANKAJWFSONK-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-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
CID 54845496
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide (CID 54812065) is N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide is Cc1cc(C)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c(C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is CWDANKAJWFSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-11-16(2)22(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)9-10-21(27)25(4)5/h6-8,11-13,23H,9-10,14H2,1-5H3,(H,24,26).
What are the key properties of N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]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-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54812065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).