2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide

C19H36N2O3 — CID 141484953

IUPAC2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
SMILESCCCCCCCCCCC=CC(CC(N)=O)C(=O)NCCCO
InChIInChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18(20)23)19(24)21-14-12-15-22/h11,13,17,22H,2-10,12,14-16H2,1H3,(H2,20,23)(H,21,24)
InChIKeySUGFEWIWIJJCBV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.06
Rot. Bonds16

About 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide

2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide (PubChem CID 141484953) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide.

Molecular Properties

Compound Name2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
PubChem CID141484953
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
SMILESCCCCCCCCCCC=CC(CC(N)=O)C(=O)NCCCO
InChIInChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18(20)23)19(24)21-14-12-15-22/h11,13,17,22H,2-10,12,14-16H2,1H3,(H2,20,23)(H,21,24)
InChIKeySUGFEWIWIJJCBV-UHFFFAOYSA-N
XLogP3.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pentadec-1-enylbutanediamide
CID 140575926
2-[(E)-dodec-1-enyl]-N,N'-dihexylbutanediamide
CID 87965247
N,N-bis(3-hydroxypropyl)-2-pentadec-1-enylbutanediamide
CID 141484984
acetic acid;azane;2-dodec-1-enylbutanediamide
CID 174984546
3-(2-sulfanylethylcarbamoyl)undec-4-enoic acid
CID 139946963
(E)-2-[2-(octadecylamino)-2-oxoethyl]icos-3-enoic acid
CID 155278641
2-hex-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
CID 141484994
(E)-2-hexadecylicos-3-enamide
CID 87517477
2-[2-(3-hydroxypropylamino)-2-oxoethyl]hept-3-enoic acid
CID 141484966
dimethyl 2-oct-1-enylbutanedioate
CID 57260825
3-methoxycarbonyltridec-4-enoic acid
CID 166068846
3-sulfanylcarbonyltridec-4-enoic acid
CID 139797986

Frequently Asked Questions

What is the IUPAC name of 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide?
The IUPAC name of 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide (CID 141484953) is 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide.
What is the SMILES notation for 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide?
The canonical SMILES for 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide is CCCCCCCCCCC=CC(CC(N)=O)C(=O)NCCCO.
What is the InChIKey of 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide?
The InChIKey is SUGFEWIWIJJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18(20)23)19(24)21-14-12-15-22/h11,13,17,22H,2-10,12,14-16H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide?
2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide has a molecular weight of 340.51 g/mol, XLogP of 3.06, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide is sourced from PubChem (CID 141484953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).