N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide

C16H33N3O2 — CID 156706251

IUPACN-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(CCC)CCNC(=O)CCC
InChIInChI=1S/C16H33N3O2/c1-4-7-9-16(21)18-11-14-19(12-6-3)13-10-17-15(20)8-5-2/h4-14H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFCMPAFXJQWXJBX-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.92
Rot. Bonds13

About N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide

N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide (PubChem CID 156706251) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
PubChem CID156706251
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(CCC)CCNC(=O)CCC
InChIInChI=1S/C16H33N3O2/c1-4-7-9-16(21)18-11-14-19(12-6-3)13-10-17-15(20)8-5-2/h4-14H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFCMPAFXJQWXJBX-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-(2-bromoethyl)pentanamide
CID 43133425
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
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[2-[[3-[2-[[3-[2-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]butanamide
CID 58409285

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide?
The IUPAC name of N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide (CID 156706251) is N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide is CCCCC(=O)NCCN(CCC)CCNC(=O)CCC.
What is the InChIKey of N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide?
The InChIKey is FCMPAFXJQWXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-7-9-16(21)18-11-14-19(12-6-3)13-10-17-15(20)8-5-2/h4-14H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide?
N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.92, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide is sourced from PubChem (CID 156706251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).