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

C14H31N5O2 — CID 164670471

IUPAC3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
SMILESCCN(CCC(=O)NCCNC)CCC(=O)NCCNC
InChIInChI=1S/C14H31N5O2/c1-4-19(11-5-13(20)17-9-7-15-2)12-6-14(21)18-10-8-16-3/h15-16H,4-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyZZHFNUISLCSZDY-UHFFFAOYSA-N
MW301.44 g/mol
LogP-1.24
Rot. Bonds13

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

3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide (PubChem CID 164670471) has the molecular formula C14H31N5O2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
PubChem CID164670471
Molecular FormulaC14H31N5O2
Molecular Weight301.44 g/mol
Exact Mass301.25
IUPAC Name3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
SMILESCCN(CCC(=O)NCCNC)CCC(=O)NCCNC
InChIInChI=1S/C14H31N5O2/c1-4-19(11-5-13(20)17-9-7-15-2)12-6-14(21)18-10-8-16-3/h15-16H,4-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyZZHFNUISLCSZDY-UHFFFAOYSA-N
XLogP-1.24
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide (CID 164670471) is 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide is CCN(CCC(=O)NCCNC)CCC(=O)NCCNC.
What is the InChIKey of 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is ZZHFNUISLCSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O2/c1-4-19(11-5-13(20)17-9-7-15-2)12-6-14(21)18-10-8-16-3/h15-16H,4-12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide?
3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 301.44 g/mol, XLogP of -1.24, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 164670471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).