2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide

C9H14N2O2 — CID 23525813

IUPAC2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)C(=C)C
InChIInChI=1S/C9H14N2O2/c1-4-8(12)10-5-6-11-9(13)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12)(H,11,13)
InChIKeyHGDWBWYFDCOVJW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.02
Rot. Bonds5

About 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide

2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 23525813) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID23525813
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)C(=C)C
InChIInChI=1S/C9H14N2O2/c1-4-8(12)10-5-6-11-9(13)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12)(H,11,13)
InChIKeyHGDWBWYFDCOVJW-UHFFFAOYSA-N
XLogP-0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.02
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

2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(3-Aminopropyl) methacrylamide
CID 2734954
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666
N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
CID 19076196
N-(2-methylprop-2-enyl)prop-2-enamide
CID 15570308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide (CID 23525813) is 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is HGDWBWYFDCOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8(12)10-5-6-11-9(13)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12)(H,11,13).
What are the key properties of 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 23525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).