N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide

C19H31N3O5 — CID 130433833

IUPACN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide
SMILESC=CCCCNC(=O)N(CCCC1CO1)C(=O)N(CCCC1CO1)C(C)=O
InChIInChI=1S/C19H31N3O5/c1-3-4-5-10-20-18(24)22(12-7-9-17-14-27-17)19(25)21(15(2)23)11-6-8-16-13-26-16/h3,16-17H,1,4-14H2,2H3,(H,20,24)
InChIKeyCKPNCFJIZMDPFU-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.29
Rot. Bonds12

About N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide

N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide (PubChem CID 130433833) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide
PubChem CID130433833
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC NameN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide
SMILESC=CCCCNC(=O)N(CCCC1CO1)C(=O)N(CCCC1CO1)C(C)=O
InChIInChI=1S/C19H31N3O5/c1-3-4-5-10-20-18(24)22(12-7-9-17-14-27-17)19(25)21(15(2)23)11-6-8-16-13-26-16/h3,16-17H,1,4-14H2,2H3,(H,20,24)
InChIKeyCKPNCFJIZMDPFU-UHFFFAOYSA-N
XLogP2.29
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide?
The IUPAC name of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide (CID 130433833) is N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide.
What is the SMILES notation for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide?
The canonical SMILES for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide is C=CCCCNC(=O)N(CCCC1CO1)C(=O)N(CCCC1CO1)C(C)=O.
What is the InChIKey of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide?
The InChIKey is CKPNCFJIZMDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-3-4-5-10-20-18(24)22(12-7-9-17-14-27-17)19(25)21(15(2)23)11-6-8-16-13-26-16/h3,16-17H,1,4-14H2,2H3,(H,20,24).
What are the key properties of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide?
N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide has a molecular weight of 381.47 g/mol, XLogP of 2.29, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide is sourced from PubChem (CID 130433833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).