2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide

C13H22N2O2 — CID 19973748

IUPAC2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNC(=O)C(=C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-6-5-7-9-15-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,14,16)(H,15,17)
InChIKeyZKNXMTBRTUSUIA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.54
Rot. Bonds8

About 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide

2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide (PubChem CID 19973748) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide
PubChem CID19973748
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNC(=O)C(=C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-6-5-7-9-15-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,14,16)(H,15,17)
InChIKeyZKNXMTBRTUSUIA-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.54
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-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-Dodecylmethacrylamide
CID 70928
N-Cyclohexylmethacrylamide
CID 76215
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
CID 11666725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide (CID 19973748) is 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide is C=C(C)C(=O)NCCCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide?
The InChIKey is ZKNXMTBRTUSUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-6-5-7-9-15-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide?
2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-methylprop-2-enoylamino)pentyl]prop-2-enamide is sourced from PubChem (CID 19973748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).