(Z)-N-butyl-3-iodo-2-methylprop-2-enamide

C8H14INO — CID 125477558

IUPAC(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
SMILESCCCCNC(=O)/C(C)=C\I
InChIInChI=1S/C8H14INO/c1-3-4-5-10-8(11)7(2)6-9/h6H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyATUJCTAHKDFHGS-SREVYHEPSA-N
MW267.11 g/mol
LogP2.24
Rot. Bonds4

About (Z)-N-butyl-3-iodo-2-methylprop-2-enamide

(Z)-N-butyl-3-iodo-2-methylprop-2-enamide (PubChem CID 125477558) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is (Z)-N-butyl-3-iodo-2-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
PubChem CID125477558
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
SMILESCCCCNC(=O)/C(C)=C\I
InChIInChI=1S/C8H14INO/c1-3-4-5-10-8(11)7(2)6-9/h6H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyATUJCTAHKDFHGS-SREVYHEPSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N,N'-diheptyloxamide
CID 3417538
methyl (E)-5-(butylamino)-4,5-dioxopent-2-enoate
CID 166744060
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-butylacetamide;molecular hydrogen
CID 142252069
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-butyl-3-oxobutanamide
CID 5161533
N-icosyl-2-methylprop-2-enamide
CID 22336363
sodium (E)-4-(butylamino)-2-methyl-4-oxobut-2-enoate
CID 134104316

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-3-iodo-2-methylprop-2-enamide?
The IUPAC name of (Z)-N-butyl-3-iodo-2-methylprop-2-enamide (CID 125477558) is (Z)-N-butyl-3-iodo-2-methylprop-2-enamide.
What is the SMILES notation for (Z)-N-butyl-3-iodo-2-methylprop-2-enamide?
The canonical SMILES for (Z)-N-butyl-3-iodo-2-methylprop-2-enamide is CCCCNC(=O)/C(C)=C\I.
What is the InChIKey of (Z)-N-butyl-3-iodo-2-methylprop-2-enamide?
The InChIKey is ATUJCTAHKDFHGS-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14INO/c1-3-4-5-10-8(11)7(2)6-9/h6H,3-5H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-N-butyl-3-iodo-2-methylprop-2-enamide?
(Z)-N-butyl-3-iodo-2-methylprop-2-enamide has a molecular weight of 267.11 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-3-iodo-2-methylprop-2-enamide is sourced from PubChem (CID 125477558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).