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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Related Compounds

N-[acetyl-[3-(oxiran-2-yl)propyl]carbamoyl]-N-[3-(oxiran-2-yl)propyl]hept-6-enamide
CID 88863822
N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide
CID 139383093
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244
N-pent-4-enyl-N-trimethylsilylacetamide
CID 10058602
9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
CID 118147117
N-[5-(oxiran-2-yl)pentyl]propanamide
CID 143590768
1,3-bis(hex-5-enyl)-1-[hex-5-enyl(methyl)amino]urea
CID 118900904
1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-17-(oxiran-2-yl)heptadec-10-en-1-one;1-(3,5-ditert-butyl-4-hydroxyphenyl)undec-10-en-1-one;2-oct-7-enyloxirane
CID 158648417

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).