N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide

C17H35N5O2 — CID 130390843

IUPACN-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)CN(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C17H35N5O2/c1-6-7-21(11-8-18(2)3)16(23)14-20(5)15-17(24)22-12-9-19(4)10-13-22/h6-15H2,1-5H3
InChIKeyAMRQCHGBTSUGQZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP-0.51
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide

N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide (PubChem CID 130390843) has the molecular formula C17H35N5O2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
PubChem CID130390843
Molecular FormulaC17H35N5O2
Molecular Weight341.50 g/mol
Exact Mass341.28
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)CN(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C17H35N5O2/c1-6-7-21(11-8-18(2)3)16(23)14-20(5)15-17(24)22-12-9-19(4)10-13-22/h6-15H2,1-5H3
InChIKeyAMRQCHGBTSUGQZ-UHFFFAOYSA-N
XLogP-0.51
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
CID 55410721
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide (CID 130390843) is N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide is CCCN(CCN(C)C)C(=O)CN(C)CC(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide?
The InChIKey is AMRQCHGBTSUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O2/c1-6-7-21(11-8-18(2)3)16(23)14-20(5)15-17(24)22-12-9-19(4)10-13-22/h6-15H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide?
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide has a molecular weight of 341.50 g/mol, XLogP of -0.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide is sourced from PubChem (CID 130390843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).