3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide

C20H44N6O2 — CID 164670470

IUPAC3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
SMILESCCCN(CCC)CCN(CCC(=O)NCCNC)CCC(=O)NCCNC
InChIInChI=1S/C20H44N6O2/c1-5-13-25(14-6-2)17-18-26(15-7-19(27)23-11-9-21-3)16-8-20(28)24-12-10-22-4/h21-22H,5-18H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyFIYLUOIAWPFWGX-UHFFFAOYSA-N
MW400.61 g/mol
LogP-0.14
Rot. Bonds19

About 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide

3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide (PubChem CID 164670470) has the molecular formula C20H44N6O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
PubChem CID164670470
Molecular FormulaC20H44N6O2
Molecular Weight400.61 g/mol
Exact Mass400.35
IUPAC Name3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
SMILESCCCN(CCC)CCN(CCC(=O)NCCNC)CCC(=O)NCCNC
InChIInChI=1S/C20H44N6O2/c1-5-13-25(14-6-2)17-18-26(15-7-19(27)23-11-9-21-3)16-8-20(28)24-12-10-22-4/h21-22H,5-18H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyFIYLUOIAWPFWGX-UHFFFAOYSA-N
XLogP-0.14
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide (CID 164670470) is 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide is CCCN(CCC)CCN(CCC(=O)NCCNC)CCC(=O)NCCNC.
What is the InChIKey of 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is FIYLUOIAWPFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N6O2/c1-5-13-25(14-6-2)17-18-26(15-7-19(27)23-11-9-21-3)16-8-20(28)24-12-10-22-4/h21-22H,5-18H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 400.61 g/mol, XLogP of -0.14, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 164670470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).