N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide

C22H32N6O6 — CID 59281651

IUPACN-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESC=C1CC(=O)N(CCC(=O)NCCN(CCN)CCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C22H32N6O6/c1-15-13-19(31)27(21(15)33)8-3-17(29)24-6-11-26(10-5-23)12-7-25-18(30)4-9-28-20(32)14-16(2)22(28)34/h1-14,23H2,(H,24,29)(H,25,30)
InChIKeyZDFWOMGCRHKAHO-UHFFFAOYSA-N
MW476.53 g/mol
LogP-2.11
Rot. Bonds14

About N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 59281651) has the molecular formula C22H32N6O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID59281651
Molecular FormulaC22H32N6O6
Molecular Weight476.53 g/mol
Exact Mass476.24
IUPAC NameN-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESC=C1CC(=O)N(CCC(=O)NCCN(CCN)CCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C22H32N6O6/c1-15-13-19(31)27(21(15)33)8-3-17(29)24-6-11-26(10-5-23)12-7-25-18(30)4-9-28-20(32)14-16(2)22(28)34/h1-14,23H2,(H,24,29)(H,25,30)
InChIKeyZDFWOMGCRHKAHO-UHFFFAOYSA-N
XLogP-2.11
TPSA162.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide (CID 59281651) is N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide is C=C1CC(=O)N(CCC(=O)NCCN(CCN)CCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O.
What is the InChIKey of N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is ZDFWOMGCRHKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O6/c1-15-13-19(31)27(21(15)33)8-3-17(29)24-6-11-26(10-5-23)12-7-25-18(30)4-9-28-20(32)14-16(2)22(28)34/h1-14,23H2,(H,24,29)(H,25,30).
What are the key properties of N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 476.53 g/mol, XLogP of -2.11, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 59281651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).