4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide

C22H29N3O2 — CID 110301959

IUPAC4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-24(2)20(18-8-6-5-7-9-18)16-23-21(26)15-12-17-10-13-19(14-11-17)22(27)25(3)4/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,23,26)
InChIKeyVQQGMYIJLZGSBG-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.74
Rot. Bonds8

About 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide

4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110301959) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110301959
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-24(2)20(18-8-6-5-7-9-18)16-23-21(26)15-12-17-10-13-19(14-11-17)22(27)25(3)4/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,23,26)
InChIKeyVQQGMYIJLZGSBG-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9166700
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide (CID 110301959) is 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CCC(=O)NCC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is VQQGMYIJLZGSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(2)20(18-8-6-5-7-9-18)16-23-21(26)15-12-17-10-13-19(14-11-17)22(27)25(3)4/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,23,26).
What are the key properties of 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110301959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).