decyl 3-(prop-2-enoylamino)propanoate

C16H29NO3 — CID 91736379

IUPACdecyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-14-20-16(19)12-13-17-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyZUNFPBSVDQJZOJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.36
Rot. Bonds13

About decyl 3-(prop-2-enoylamino)propanoate

decyl 3-(prop-2-enoylamino)propanoate (PubChem CID 91736379) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is decyl 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namedecyl 3-(prop-2-enoylamino)propanoate
PubChem CID91736379
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namedecyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-14-20-16(19)12-13-17-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyZUNFPBSVDQJZOJ-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

beta-Alanine, N-acryloyl-, butyl ester
CID 91692696
beta-Alanine, N-acryloyl-, hexyl ester
CID 91725891
beta-Alanine, N-(3-methylbut-2-enoyl)-, octyl ester
CID 91697915
beta-Alanine, N-(3-methylbut-2-enoyl)-, dodecyl ester
CID 91697916
beta-Alanine, N-(3-methylbut-2-enoyl)-, tetradecyl ester
CID 91698271
beta-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester
CID 91698272
beta-Alanine, N-(3-methylbut-2-enoyl)-, heptyl ester
CID 91698273
beta-Alanine, N-(3-methylbut-2-enoyl)-, pentadecyl ester
CID 91698274
beta-Alanine, N-acryloyl-, tetradecyl ester
CID 91712851
beta-Alanine, N-acryloyl-, pentadecyl ester
CID 91712852
beta-Alanine, N-acryloyl-, hexadecyl ester
CID 91712853
beta-Alanine, N-acryloyl-, heptadecyl ester
CID 91712855

Frequently Asked Questions

What is the IUPAC name of decyl 3-(prop-2-enoylamino)propanoate?
The IUPAC name of decyl 3-(prop-2-enoylamino)propanoate (CID 91736379) is decyl 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for decyl 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for decyl 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 3-(prop-2-enoylamino)propanoate?
The InChIKey is ZUNFPBSVDQJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-14-20-16(19)12-13-17-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,18).
What are the key properties of decyl 3-(prop-2-enoylamino)propanoate?
decyl 3-(prop-2-enoylamino)propanoate has a molecular weight of 283.41 g/mol, XLogP of 3.36, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 91736379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).