N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide

C11H18N2O3 — CID 23223314

IUPACN-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CC(C)=O
InChIInChI=1S/C11H18N2O3/c1-8(2)11(16)13-6-4-5-12-10(15)7-9(3)14/h1,4-7H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyMJMTXFRNHOEWSJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.16
Rot. Bonds7

About N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide

N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide (PubChem CID 23223314) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide
PubChem CID23223314
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CC(C)=O
InChIInChI=1S/C11H18N2O3/c1-8(2)11(16)13-6-4-5-12-10(15)7-9(3)14/h1,4-7H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyMJMTXFRNHOEWSJ-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.16
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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
2-Propenamide, N-[3-(diethylamino)propyl]-2-methyl-
CID 11651323
Methacrylamidopropylmethylammonium chloride
CID 129675389
N,N'-1,4-butanediylbis(2-methyl-2-propenamide)
CID 11680199
N-{2-[(2-methylacryloyl)amino]ethyl}-3-oxobutanamide
CID 21863290
N-(3-acetamidopropyl)-2-methylprop-2-enamide
CID 45120253
Triethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 10036658
2-Propenamide, N-[3-(dibutylamino)propyl]-2-methyl-
CID 10445042
2-Propenamide, N,N'-1,3-propanediylbis[2-methyl-
CID 11687130
Trimethyl-[4-(2-methylprop-2-enoylamino)butyl]azanium
CID 11820066
N-[3-(ethylamino)propyl]-2-methylprop-2-enamide
CID 18325519

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide?
The IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide (CID 23223314) is N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide is C=C(C)C(=O)NCCCNC(=O)CC(C)=O.
What is the InChIKey of N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide?
The InChIKey is MJMTXFRNHOEWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)11(16)13-6-4-5-12-10(15)7-9(3)14/h1,4-7H2,2-3H3,(H,12,15)(H,13,16).
What are the key properties of N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide?
N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide has a molecular weight of 226.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoylamino)propyl]-3-oxobutanamide is sourced from PubChem (CID 23223314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).