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

C14H29N5O3 — CID 58105683

IUPAC3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C14H29N5O3/c1-15-12(20)4-7-18-8-11-19(9-5-13(21)16-2)10-6-14(22)17-3/h18H,4-11H2,1-3H3,(H,15,20)(H,16,21)(H,17,22)
InChIKeyDVCNAAHBMUSXOD-UHFFFAOYSA-N
MW315.42 g/mol
LogP-1.71
Rot. Bonds12

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

3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide (PubChem CID 58105683) has the molecular formula C14H29N5O3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
PubChem CID58105683
Molecular FormulaC14H29N5O3
Molecular Weight315.42 g/mol
Exact Mass315.23
IUPAC Name3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C14H29N5O3/c1-15-12(20)4-7-18-8-11-19(9-5-13(21)16-2)10-6-14(22)17-3/h18H,4-11H2,1-3H3,(H,15,20)(H,16,21)(H,17,22)
InChIKeyDVCNAAHBMUSXOD-UHFFFAOYSA-N
XLogP-1.71
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

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-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105591
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
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
3-(dipropylamino)-N-methylpropanamide
CID 90814262
3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide
CID 143379071
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide (CID 58105683) is 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide is CNC(=O)CCNCCN(CCC(=O)NC)CCC(=O)NC.
What is the InChIKey of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The InChIKey is DVCNAAHBMUSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O3/c1-15-12(20)4-7-18-8-11-19(9-5-13(21)16-2)10-6-14(22)17-3/h18H,4-11H2,1-3H3,(H,15,20)(H,16,21)(H,17,22).
What are the key properties of 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide has a molecular weight of 315.42 g/mol, XLogP of -1.71, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide is sourced from PubChem (CID 58105683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).