3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide

C10H16N2O3 — CID 22462032

IUPAC3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide
SMILESC=CC(=O)NCCCNC(=O)CC(C)=O
InChIInChI=1S/C10H16N2O3/c1-3-9(14)11-5-4-6-12-10(15)7-8(2)13/h3H,1,4-7H2,2H3,(H,11,14)(H,12,15)
InChIKeyFWXRNZOSQCNMGH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds7

About 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide

3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide (PubChem CID 22462032) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide
PubChem CID22462032
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide
SMILESC=CC(=O)NCCCNC(=O)CC(C)=O
InChIInChI=1S/C10H16N2O3/c1-3-9(14)11-5-4-6-12-10(15)7-8(2)13/h3H,1,4-7H2,2H3,(H,11,14)(H,12,15)
InChIKeyFWXRNZOSQCNMGH-UHFFFAOYSA-N
XLogP-0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Oxo-N-2-propen-1-ylbutanamide
CID 537215
N-(3-Oxobutyl)prop-2-enamide
CID 19764912
N-(2-acetyl-3-oxobutyl)prop-2-enamide
CID 14573623
N-{2-[(2-methylacryloyl)amino]ethyl}-3-oxobutanamide
CID 21863290
N-(3,5-dioxohexyl)prop-2-enamide
CID 18468816
N-[3-(prop-2-enoylamino)butyl]prop-2-enamide
CID 19891107
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-butylprop-2-enamide;prop-2-enamide
CID 20215358
N-(4-oxopentan-2-yl)prop-2-enamide
CID 21556841
3-oxo-N-[2-(prop-2-enoylamino)ethyl]butanamide
CID 22462034
N-(3-Methacrylamidopropyl)-3-oxobutanamide
CID 23223314
Sodium 2-methylprop-2-enoyl-[3-(3-oxobutanoylamino)propyl]azanide
CID 23710948

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide?
The IUPAC name of 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide (CID 22462032) is 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide.
What is the SMILES notation for 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide?
The canonical SMILES for 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide is C=CC(=O)NCCCNC(=O)CC(C)=O.
What is the InChIKey of 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide?
The InChIKey is FWXRNZOSQCNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-9(14)11-5-4-6-12-10(15)7-8(2)13/h3H,1,4-7H2,2H3,(H,11,14)(H,12,15).
What are the key properties of 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide?
3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[3-(prop-2-enoylamino)propyl]butanamide is sourced from PubChem (CID 22462032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).