4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C18H29N3O2 — CID 9125581

IUPAC4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H29N3O2/c1-5-11-21(12-6-2)17(22)14-20(4)13-15-7-9-16(10-8-15)18(23)19-3/h7-10H,5-6,11-14H2,1-4H3,(H,19,23)
InChIKeyBILXOQKIZSTDBM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.13
Rot. Bonds9

About 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 9125581) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID9125581
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H29N3O2/c1-5-11-21(12-6-2)17(22)14-20(4)13-15-7-9-16(10-8-15)18(23)19-3/h7-10H,5-6,11-14H2,1-4H3,(H,19,23)
InChIKeyBILXOQKIZSTDBM-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125001
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
4-[[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37214883
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
CID 9125717

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 9125581) is 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CCCN(CCC)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is BILXOQKIZSTDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-11-21(12-6-2)17(22)14-20(4)13-15-7-9-16(10-8-15)18(23)19-3/h7-10H,5-6,11-14H2,1-4H3,(H,19,23).
What are the key properties of 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 319.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9125581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).