N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

C17H26N2O2 — CID 112995736

IUPACN-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCCN(CCC)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-5-9-19(10-6-2)16(20)12-18-17(21)15-8-7-13(3)14(4)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyAJMVMPBMFWSUTR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 112995736) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID112995736
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCCN(CCC)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-5-9-19(10-6-2)16(20)12-18-17(21)15-8-7-13(3)14(4)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyAJMVMPBMFWSUTR-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 32954048
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 94823366
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 112795398
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18160821

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 112995736) is N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is CCCN(CCC)C(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is AJMVMPBMFWSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-9-19(10-6-2)16(20)12-18-17(21)15-8-7-13(3)14(4)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 112995736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).