N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide

C11H16Cl2N2O2 — CID 123957452

IUPACN-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide
SMILESC=C(Cl)C(NC(=O)COC)=C(Cl)N=CC(C)C
InChIInChI=1S/C11H16Cl2N2O2/c1-7(2)5-14-11(13)10(8(3)12)15-9(16)6-17-4/h5,7H,3,6H2,1-2,4H3,(H,15,16)
InChIKeyMEGLLHAPQFZYDI-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.64
Rot. Bonds6

About N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide

N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide (PubChem CID 123957452) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide
PubChem CID123957452
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC NameN-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide
SMILESC=C(Cl)C(NC(=O)COC)=C(Cl)N=CC(C)C
InChIInChI=1S/C11H16Cl2N2O2/c1-7(2)5-14-11(13)10(8(3)12)15-9(16)6-17-4/h5,7H,3,6H2,1-2,4H3,(H,15,16)
InChIKeyMEGLLHAPQFZYDI-UHFFFAOYSA-N
XLogP2.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-methylpropylidene)carbamate
CID 173382905
N-ethanethioyl-2-methoxyacetamide
CID 140553789
N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
CID 143389329
methyl (Z)-2-(1-chloroethenyl)-4-methylpent-2-enoate
CID 16742719
2-methoxy-N-propan-2-yloxyacetamide
CID 126991751
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
N-fluoro-2-methoxyacetamide
CID 59335518
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
CID 166967471
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
N'-(2-chloroacetyl)-2-methoxyacetohydrazide
CID 71758393
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide (CID 123957452) is N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide is C=C(Cl)C(NC(=O)COC)=C(Cl)N=CC(C)C.
What is the InChIKey of N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide?
The InChIKey is MEGLLHAPQFZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-7(2)5-14-11(13)10(8(3)12)15-9(16)6-17-4/h5,7H,3,6H2,1-2,4H3,(H,15,16).
What are the key properties of N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide?
N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide has a molecular weight of 279.17 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dichloro-1-(2-methylpropylideneamino)buta-1,3-dien-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 123957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).