N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide

C8H13ClN2O2 — CID 23335659

IUPACN-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C=O)CCl
InChIInChI=1S/C8H13ClN2O2/c1-7(2)8(13)10-3-4-11(5-9)6-12/h6H,1,3-5H2,2H3,(H,10,13)
InChIKeyOEGPNFOVVNAIGD-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.33
Rot. Bonds6

About N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 23335659) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID23335659
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC NameN-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C=O)CCl
InChIInChI=1S/C8H13ClN2O2/c1-7(2)8(13)10-3-4-11(5-9)6-12/h6H,1,3-5H2,2H3,(H,10,13)
InChIKeyOEGPNFOVVNAIGD-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
2-Methacrylamidoethyl-trimethylammonium chloride
CID 9855811
N,N'-1,2-Ethanediylbis[2-methyl-2-propenamide]
CID 10313529
N,N-bis methacryloyl ethylenediamine
CID 22610645
N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
CID 3097420
2-methyl-N-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 9796598
N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide
CID 9841344
Trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 9855812
N-formyl-N'-(methacryloylaminoethyl)piperazine
CID 14876001
2-methyl-N-propylprop-2-enamide;triethylazanium;chloride
CID 17929323
N-ethyl-N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
CID 17948881

Frequently Asked Questions

What is the IUPAC name of N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide (CID 23335659) is N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(C=O)CCl.
What is the InChIKey of N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is OEGPNFOVVNAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-7(2)8(13)10-3-4-11(5-9)6-12/h6H,1,3-5H2,2H3,(H,10,13).
What are the key properties of N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 204.66 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 23335659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).