N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide

C23H42N6O5 — CID 89072180

IUPACN-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide
SMILESC=C(N)CN(CCNC(=O)CN(CCNC(=O)CN(CCC)C(=O)CC)C(=O)CC)C(=O)CC
InChIInChI=1S/C23H42N6O5/c1-6-12-27(21(32)7-2)16-19(30)26-11-14-29(23(34)9-4)17-20(31)25-10-13-28(15-18(5)24)22(33)8-3/h5-17,24H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyKEKXIIWZQUYCAA-UHFFFAOYSA-N
MW482.63 g/mol
LogP-0.18
Rot. Bonds17

About N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide

N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide (PubChem CID 89072180) has the molecular formula C23H42N6O5 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide
PubChem CID89072180
Molecular FormulaC23H42N6O5
Molecular Weight482.63 g/mol
Exact Mass482.32
IUPAC NameN-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide
SMILESC=C(N)CN(CCNC(=O)CN(CCNC(=O)CN(CCC)C(=O)CC)C(=O)CC)C(=O)CC
InChIInChI=1S/C23H42N6O5/c1-6-12-27(21(32)7-2)16-19(30)26-11-14-29(23(34)9-4)17-20(31)25-10-13-28(15-18(5)24)22(33)8-3/h5-17,24H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyKEKXIIWZQUYCAA-UHFFFAOYSA-N
XLogP-0.18
TPSA145.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide (CID 89072180) is N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide is C=C(N)CN(CCNC(=O)CN(CCNC(=O)CN(CCC)C(=O)CC)C(=O)CC)C(=O)CC.
What is the InChIKey of N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide?
The InChIKey is KEKXIIWZQUYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N6O5/c1-6-12-27(21(32)7-2)16-19(30)26-11-14-29(23(34)9-4)17-20(31)25-10-13-28(15-18(5)24)22(33)8-3/h5-17,24H2,1-4H3,(H,25,31)(H,26,30).
What are the key properties of N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide?
N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide has a molecular weight of 482.63 g/mol, XLogP of -0.18, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-[2-[2-aminoprop-2-enyl(propanoyl)amino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 89072180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).