N-[4-(prop-2-enoylamino)butyl]prop-2-enamide

C10H16N2O2 — CID 11542941

IUPACN-[4-(prop-2-enoylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCNC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
InChIKeyJKGFLKYTUYKLQL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds7

About N-[4-(prop-2-enoylamino)butyl]prop-2-enamide

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide (PubChem CID 11542941) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[4-(prop-2-enoylamino)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(prop-2-enoylamino)butyl]prop-2-enamide
PubChem CID11542941
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[4-(prop-2-enoylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCNC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
InChIKeyJKGFLKYTUYKLQL-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-heptadecylprop-2-enamide
CID 20727742
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-butylprop-2-enamide;hydrofluoride
CID 174533496
CID 131887558
CID 131887558
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
carbonic acid;N-hexylprop-2-enamide
CID 22445987

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enoylamino)butyl]prop-2-enamide?
The IUPAC name of N-[4-(prop-2-enoylamino)butyl]prop-2-enamide (CID 11542941) is N-[4-(prop-2-enoylamino)butyl]prop-2-enamide.
What is the SMILES notation for N-[4-(prop-2-enoylamino)butyl]prop-2-enamide?
The canonical SMILES for N-[4-(prop-2-enoylamino)butyl]prop-2-enamide is C=CC(=O)NCCCCNC(=O)C=C.
What is the InChIKey of N-[4-(prop-2-enoylamino)butyl]prop-2-enamide?
The InChIKey is JKGFLKYTUYKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-9(13)11-7-5-6-8-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14).
What are the key properties of N-[4-(prop-2-enoylamino)butyl]prop-2-enamide?
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enoylamino)butyl]prop-2-enamide is sourced from PubChem (CID 11542941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).