3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide

C31H62N10O6 — CID 167153611

IUPAC3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCCN(CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C31H62N10O6/c1-32-26(42)8-16-38(22-24-40(18-10-28(44)34-3)19-11-29(45)35-4)14-7-15-39(17-9-27(43)33-2)23-25-41(20-12-30(46)36-5)21-13-31(47)37-6/h7-25H2,1-6H3,(H,32,42)(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)
InChIKeyMVNDTSKZQMELFB-UHFFFAOYSA-N
MW670.90 g/mol
LogP-2.60
Rot. Bonds28

About 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide

3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide (PubChem CID 167153611) has the molecular formula C31H62N10O6 and a molecular weight of 670.90 g/mol. Its IUPAC name is 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
PubChem CID167153611
Molecular FormulaC31H62N10O6
Molecular Weight670.90 g/mol
Exact Mass670.49
IUPAC Name3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCCN(CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C31H62N10O6/c1-32-26(42)8-16-38(22-24-40(18-10-28(44)34-3)19-11-29(45)35-4)14-7-15-39(17-9-27(43)33-2)23-25-41(20-12-30(46)36-5)21-13-31(47)37-6/h7-25H2,1-6H3,(H,32,42)(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)
InChIKeyMVNDTSKZQMELFB-UHFFFAOYSA-N
XLogP-2.60
TPSA187.56 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 5-2.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide with MolForge

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Related Compounds

3-(dipropylamino)-N-methylpropanamide
CID 90814262
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
3-[2-[2-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(methylamino)-3-oxopropyl]amino]ethyl-(3-oxobutyl)amino]-N-methylpropanamide
CID 118011724
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105591
3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
CID 118657481
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
N,N'-dimethylheptanediamide
CID 15166696
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide?
The IUPAC name of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide (CID 167153611) is 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide is CNC(=O)CCN(CCCN(CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC)CCN(CCC(=O)NC)CCC(=O)NC.
What is the InChIKey of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide?
The InChIKey is MVNDTSKZQMELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N10O6/c1-32-26(42)8-16-38(22-24-40(18-10-28(44)34-3)19-11-29(45)35-4)14-7-15-39(17-9-27(43)33-2)23-25-41(20-12-30(46)36-5)21-13-31(47)37-6/h7-25H2,1-6H3,(H,32,42)(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47).
What are the key properties of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide?
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide has a molecular weight of 670.90 g/mol, XLogP of -2.60, 28 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide is sourced from PubChem (CID 167153611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).