(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide

C16H30N2O4 — CID 87141414

IUPAC(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide
SMILESNC(=O)CCCCCCCC/C(CCO)=C(\CCO)C(N)=O
InChIInChI=1S/C16H30N2O4/c17-15(21)8-6-4-2-1-3-5-7-13(9-11-19)14(10-12-20)16(18)22/h19-20H,1-12H2,(H2,17,21)(H2,18,22)/b14-13-
InChIKeyPVTDIGVDYFUWMC-YPKPFQOOSA-N
MW314.43 g/mol
LogP1.14
Rot. Bonds14

About (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide

(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide (PubChem CID 87141414) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide.

Molecular Properties

Compound Name(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide
PubChem CID87141414
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide
SMILESNC(=O)CCCCCCCC/C(CCO)=C(\CCO)C(N)=O
InChIInChI=1S/C16H30N2O4/c17-15(21)8-6-4-2-1-3-5-7-13(9-11-19)14(10-12-20)16(18)22/h19-20H,1-12H2,(H2,17,21)(H2,18,22)/b14-13-
InChIKeyPVTDIGVDYFUWMC-YPKPFQOOSA-N
XLogP1.14
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxyhexanamide
CID 11815390
18-hydroxyoctadecanamide
CID 54261687
3-hexyl-2-propylnon-2-enamide
CID 174472845
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
copper;tridecanediamide
CID 159780260
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
disodium bis(8-amino-8-oxooctanoate)
CID 158637800
34-amino-34-oxotetratriacontanoic acid
CID 139682719

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide?
The IUPAC name of (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide (CID 87141414) is (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide.
What is the SMILES notation for (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide?
The canonical SMILES for (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide is NC(=O)CCCCCCCC/C(CCO)=C(\CCO)C(N)=O.
What is the InChIKey of (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide?
The InChIKey is PVTDIGVDYFUWMC-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H30N2O4/c17-15(21)8-6-4-2-1-3-5-7-13(9-11-19)14(10-12-20)16(18)22/h19-20H,1-12H2,(H2,17,21)(H2,18,22)/b14-13-.
What are the key properties of (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide?
(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide has a molecular weight of 314.43 g/mol, XLogP of 1.14, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide is sourced from PubChem (CID 87141414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).