(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide

C17H25NO — CID 70372311

IUPAC(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
SMILESCC(C)CNC(=O)CCCC/C=C\c1ccccc1
InChIInChI=1S/C17H25NO/c1-15(2)14-18-17(19)13-9-4-3-6-10-16-11-7-5-8-12-16/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,18,19)/b10-6-
InChIKeyPABHMPHJEMKCPZ-POHAHGRESA-N
MW259.39 g/mol
LogP4.03
Rot. Bonds8

About (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide

(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide (PubChem CID 70372311) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
PubChem CID70372311
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
SMILESCC(C)CNC(=O)CCCC/C=C\c1ccccc1
InChIInChI=1S/C17H25NO/c1-15(2)14-18-17(19)13-9-4-3-6-10-16-11-7-5-8-12-16/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,18,19)/b10-6-
InChIKeyPABHMPHJEMKCPZ-POHAHGRESA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
N-(2-methylpropyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8545325
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
7-phenylhept-6-en-2-one
CID 582607
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
3-methyl-2-[[(E)-5-phenylpent-4-enoyl]amino]butanoic acid
CID 119169932
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
CID 174957132

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide?
The IUPAC name of (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide (CID 70372311) is (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide.
What is the SMILES notation for (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide?
The canonical SMILES for (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide is CC(C)CNC(=O)CCCC/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide?
The InChIKey is PABHMPHJEMKCPZ-POHAHGRESA-N. The full InChI is InChI=1S/C17H25NO/c1-15(2)14-18-17(19)13-9-4-3-6-10-16-11-7-5-8-12-16/h5-8,10-12,15H,3-4,9,13-14H2,1-2H3,(H,18,19)/b10-6-.
What are the key properties of (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide?
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide has a molecular weight of 259.39 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide is sourced from PubChem (CID 70372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).