N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide

C23H46N4O3 — CID 90956908

IUPACN-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCN(CCNC(=O)CC)CCNC(=O)CCCCCC
InChIInChI=1S/C23H46N4O3/c1-4-7-9-11-13-22(29)25-16-19-27(18-15-24-21(28)6-3)20-17-26-23(30)14-12-10-8-5-2/h4-20H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyWHQQZEZKMUQRRE-UHFFFAOYSA-N
MW426.65 g/mol
LogP2.99
Rot. Bonds20

About N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide

N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide (PubChem CID 90956908) has the molecular formula C23H46N4O3 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
PubChem CID90956908
Molecular FormulaC23H46N4O3
Molecular Weight426.65 g/mol
Exact Mass426.36
IUPAC NameN-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCN(CCNC(=O)CC)CCNC(=O)CCCCCC
InChIInChI=1S/C23H46N4O3/c1-4-7-9-11-13-22(29)25-16-19-27(18-15-24-21(28)6-3)20-17-26-23(30)14-12-10-8-5-2/h4-20H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyWHQQZEZKMUQRRE-UHFFFAOYSA-N
XLogP2.99
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-propylheptanamide
CID 145289188
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide?
The IUPAC name of N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide (CID 90956908) is N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide.
What is the SMILES notation for N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide?
The canonical SMILES for N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide is CCCCCCC(=O)NCCN(CCNC(=O)CC)CCNC(=O)CCCCCC.
What is the InChIKey of N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide?
The InChIKey is WHQQZEZKMUQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3/c1-4-7-9-11-13-22(29)25-16-19-27(18-15-24-21(28)6-3)20-17-26-23(30)14-12-10-8-5-2/h4-20H2,1-3H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide?
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide has a molecular weight of 426.65 g/mol, XLogP of 2.99, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide is sourced from PubChem (CID 90956908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).