N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide

C9H15ClN2O2 — CID 87932132

IUPACN-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(Cl)C(C)=O
InChIInChI=1S/C9H15ClN2O2/c1-7(2)9(14)11-5-4-6-12(10)8(3)13/h1,4-6H2,2-3H3,(H,11,14)
InChIKeyJNMXAWZURIHWLR-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.07
Rot. Bonds5

About N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide

N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide (PubChem CID 87932132) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
PubChem CID87932132
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(Cl)C(C)=O
InChIInChI=1S/C9H15ClN2O2/c1-7(2)9(14)11-5-4-6-12(10)8(3)13/h1,4-6H2,2-3H3,(H,11,14)
InChIKeyJNMXAWZURIHWLR-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.07
H-Bond Donors ≤ 51
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
2-methyl-N-[3-[propyl(silyl)amino]propyl]prop-2-enamide
CID 173204091
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-[3-deuterio-3-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 175928918

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide (CID 87932132) is N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN(Cl)C(C)=O.
What is the InChIKey of N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide?
The InChIKey is JNMXAWZURIHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-7(2)9(14)11-5-4-6-12(10)8(3)13/h1,4-6H2,2-3H3,(H,11,14).
What are the key properties of N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide?
N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide has a molecular weight of 218.68 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87932132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).